SCHEMBL8690359

SCHEMBL8690359

Cc1cc(C)cc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 5/20 0.66
KDM4E B2RXH2 5/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL29804733 1.00 RAB9A (0.66) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29941469 0.85 NPC1 (0.67) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL6324872 0.85 NPC1 (0.67) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29804862 0.85 RAB9A (0.71) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL3986163 0.85 RAB9A (0.71) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5053299 0.81 NPC1 (0.87) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL10460032 0.80 RAB9A (0.59) RAB9ANPC1KDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL29363616 0.79 NPC1 (1.00) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL28416625 0.79 NPC1 (0.83) RAB9ANPC1KDM4EMAPTMEN1
2-Phenyl-1H-Indole SCHEMBL341378 0.79 NPC1 (1.00) RAB9ANPC1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN disclosed
CN-110272370-A A kind of synthetic method for 3,3 '-bis- (2-phenylindone base) methane compounds that trifluoromethyl replaces 福州大学 2019-09-24 CN disclosed
US-8962558-B2 Methods for reducing GnRH-positive tumor cell proliferation using the GnRH antagonist IN3 VAN GROENINGHEN JOHANNES C (DE) 2015-02-24 US disclosed
US-20120238494-A1 METHODS FOR REDUCING GNRH-POSITIVE TUMOR CELL PROLIFERATION VAN GROENINGHEN JOHANNES C (DE) 2012-09-20 US disclosed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
US-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 US disclosed