SCHEMBL530252

SCHEMBL530252

O=c1ccc2cccc3c2n1C=CC3

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
DRD2 P14416 1/20 0.36
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
CA9 Q16790 1/20 0.32
KAT2B Q92831 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2580621 0.70 HTR1A (0.31) HTR1ACYP3A4TSHR
Water SCHEMBL30136134 0.66
SCHEMBL4421682 0.66 HTR1A (0.46) HTR1ADRD2CYP3A4TSHRKDM4E
SCHEMBL10967544 0.65 CA12 (0.41) HTR1ADRD2CYP3A4TSHRCA12
SCHEMBL11542044 0.64 ALKBH5 (0.37) KDM4EALDH1A1HPGD
SCHEMBL1649877 0.64
SCHEMBL5656874 0.63 HTR1A (0.32) HTR1A
SCHEMBL11207376 0.63 HPGD (0.55) HTR1ADRD2KDM4EALDH1A1HPGD
SCHEMBL9378743 0.62 CA12 (0.30) CA12BRD4BRPF1CA9KAT2B
SCHEMBL5982877 0.61 HTR1A (0.36) HTR1ADRD2CA12BRD4BRPF1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089412-A1 METHODS OF TREATING CANCER PATIENTS WITH FARNESYLTRANSFERASE INHIBITORS KURA ONCOLOGY INC (US) 2023-03-23 US disclosed
US-11559540-B2 Method of determining acute myeloid leukemia response to treatment with farnesyltransferase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-01-24 US disclosed
US-20220143006-A1 METHODS OF TREATING CANCER WITH FARNESYLTRANSFERASE INHIBITORS KURA ONCOLOGY, INC. 2022-05-12 US disclosed
EP-3995589-A1 METHODS OF TREATING CANCER PATIENTS WITH FARNESYL TRANSFERASE INHIBITORS Kura Oncology, Inc. (US) 2022-05-11 EP disclosed
US-20150302140-A1 IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-10-22 US disclosed
WO-2014071316-A1 IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-05-08 WO disclosed
EP-2598874-A2 METHODS OF DETERMINING ACUTE MYELOID LEUKEMIA RESPONSE TO TREATMENT WITH FARNESYLTRANSFERASE INHIBITORS Veridex, LLC (US) 2013-06-05 EP disclosed
WO-2012016021-A2 METHODS OF DETERMINING ACUTE MYELOID LEUKEMIA RESPONSE TO TREATMENT WITH FARNESYLTRANSFERASE INHIBITORS VERIDEX, LLC (US) 2012-02-02 WO disclosed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed
EP-1631285-A4 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2006-11-02 EP disclosed
EP-1631285-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Euro-Celtique, S.A. (LU) 2006-03-08 EP disclosed
WO-2005004866-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE, S.A. (LU) 2005-01-20 WO disclosed