SCHEMBL11280292

SCHEMBL11280292

CNc1ccc(C)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ TDP1 Q9NUW8 5/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CYP3A4 P08684 6/20 0.48
▸ MAPT P10636 3/20 0.43
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ALOX15 P16050 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CFTR P13569 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL17508194 0.83 TDP1 (0.54) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL10826314 0.81 CYP3A4 (0.57) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL30724396 0.80 TDP1 (0.46) ALDH1A1TDP1CASP1CYP3A4TSHR
SCHEMBL13548437 0.80 TDP1 (0.46) ALDH1A1TDP1CASP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL11439401 0.79 CYP3A4 (0.55) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL12064898 0.79 TDP1 (0.50) ALDH1A1TDP1CASP1CYP3A4MAPT
Hydrochloric Acid SCHEMBL11092761 0.79 CYP3A4 (0.55) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL26936582 0.78 ALDH1A1 (0.41) ALDH1A1TDP1CASP1CYP3A4MAPT
Hydrochloric Acid SCHEMBL11296739 0.78 TDP1 (0.44) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL2092210 0.77 POLB (0.50) ALDH1A1CYP3A4MAPTALOX15CYP1A2

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

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 — — EP disclosed
US-9952173-B2 Lead ion sensors, methods of making and uses thereof TONGJI UNIVERSITY (CN) 2018-04-24 — — US disclosed
US-20160231271-A1 LEAD ION SENSORS, METHODS OF MAKING AND USES THEREOF TONGJI UNIVERSITY (CN) 2016-08-11 — — US disclosed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 — — US disclosed
US-8382857-B2 Method for the reactive coloration of leather BASF SE (DE) 2013-02-26 — — US disclosed
US-8372161-B2 Method for the reactive coloring of leather BASF SE (DE) 2013-02-12 — — US disclosed
US-20070234488-A1 Method for the Reactive Coloration of Leather BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 — — US disclosed
US-20070033746-A1 Method for the reactive coloring of leather BASF AKTIENGESSELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-4329504-A COUPLERS FOR DYES, HAIR DYES SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-11 — — US disclosed
US-4259261-A OXIDATION COLOR DYES FOR HAIR L'OREAL (FR) 1981-03-31 — — US disclosed
US-4125367-A FOR KERATINIC FIBERS L'OREAL (FR) 1978-11-14 — — US disclosed
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