SCHEMBL130318

SCHEMBL130318

[NH]c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.48
CYP1A2 P05177 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALOX12 P18054 1/20 0.47
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GSTP1 P09211 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2013278 0.92 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL11803852 0.87 CYP2A6 (0.37) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL4648267 0.81 ALDH1A1 (0.38) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL2012967 0.79 ALDH1A1 (0.61) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
Naphthalene SCHEMBL2263115 0.77 CYP2A6 (0.67) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL2007817 0.76 ALDH1A1 (0.64) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
Anthracene SCHEMBL3187575 0.73 CYP2A6 (0.73) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
Anthracene SCHEMBL5713428 0.73 CYP2A6 (0.73) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL10382833 0.72 CYP1A2 (0.56) CYP1A2CYP3A4HSD17B10TDP1CYP2D6
SCHEMBL8986136 0.72 CYP2A6 (0.56) CYP2A6CYP1A2ALDH1A1TDP1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2402 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 CN claimed
CN-112210228-B Preparation process of high-fastness and high-solubility red dye 浙江亿得新材料股份有限公司 2023-01-24 CN claimed
EP-3026079-B1 ANTI-VIBRATION RUBBER COMPOSITION AND ANTI-VIBRATION RUBBER BRIDGESTONE CORP (JP) 2020-04-08 EP claimed
US-20160152804-A1 ANTI-VIBRATION RUBBER COMPOSITION AND ANTI-VIBRATION RUBBER BRIDGESTONE CORPORATION (JP) 2016-06-02 US claimed
EP-3026079-A1 ANTI-VIBRATION RUBBER COMPOSITION AND ANTI-VIBRATION RUBBER Bridgestone Corporation (JP) 2016-06-01 EP claimed
CN-105408409-A Vibration-isolating rubber composition and vibration-isolating rubber BRIDGESTONE CORP 2016-03-16 CN claimed
WO-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 WO claimed
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 US claimed
EP-2342173-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS Novartis AG (CH) 2011-07-13 EP claimed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 WO claimed
EP-0118685-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-19 EP claimed
EP-0117412-A1 Propene derivatives and their use as plant growth inhibitors DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-05 EP claimed
US-4448715-A Tagged pyroglu-L-Phe-L-Arg derivatives, substrates and assays for kallikrein UNIVERSITY OF MIAMI (US) 1984-05-15 US claimed
US-4440678-A ARGININES PENTAPHARM, A.G. (CH) 1984-04-03 US claimed
US-4428874-A QUANTITATIVE ANALYSIS OF PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1984-01-31 US claimed
EP-0019589-B1 TRIPEPTIDE DERIVATIVES AND THEIR USE IN A PROCESS FOR DETERMINING ENZYMES Pentapharm A.G. (CH) 1983-11-09 EP claimed
EP-0034122-B1 TRIPEPTIDE DERIVATIVES AND THEIR USE IN THE DETERMINATION OF ENZYMES Pentapharm A.G. (CH) 1983-09-21 EP claimed
EP-0078764-A1 Process for the quantitative determination of the blood clotting factor XII in human plasma Pentapharm A.G. (CH) 1983-05-11 EP claimed
EP-0078703-A2 New tagged pyroglu-l-phe-l-arg derivatives, substrates and assays for kallikrein UNIVERSITY OF MIAMI (US) 1983-05-11 EP claimed
EP-0034122-A1 Tripeptide derivatives and their use in the determination of enzymes Pentapharm A.G. (CH) 1981-08-19 EP claimed