SCHEMBL6798428

SCHEMBL6798428

COc1cccc(C(=O)Nc2ccccc2OC)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
RAB9A P51151 6/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
SIRT2 Q8IXJ6 1/20 0.68
PYGM P11217 1/20 0.68
NPC1 O15118 5/20 0.67
RXFP1 Q9HBX9 1/20 0.64
KCNK3 O14649 1/20 0.63
KCNK9 Q9NPC2 1/20 0.63
GFER P55789 1/20 0.63
ABCB1 P08183 1/20 0.63
NLRP3 Q96P20 1/20 0.62
POLB P06746 1/20 0.61
HTT P42858 1/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.61
CYP1A1 P04798 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP1B1 Q16678 1/20 0.61

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
SCHEMBL11246385 0.91 MEN1 (1.00) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12077495 0.85 MEN1 (0.83) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL29808279 0.85 MEN1 (0.83) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL28241911 0.85 MEN1 (0.74) MEN1KMT2ARAB9ASIRT2NPC1
SCHEMBL27696853 0.85 PYGM (0.78) MEN1KMT2ARAB9ASMN1; SMN2PYGM
SCHEMBL16681360 0.84 KMT2A (0.76) MEN1KMT2ARAB9ASIRT2NPC1
SCHEMBL527994 0.84 RAB9A (0.77) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL29989592 0.84 RAB9A (0.77) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL8970331 0.84 MAPT (0.65) MEN1KMT2ARAB9ASIRT2NPC1
SCHEMBL4651232 0.83 MEN1 (0.66) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed