SCHEMBL6802630

SCHEMBL6802630

CC(C)(C)[Si](C)(C)Oc1ccc(CN(C(=O)c2cccs2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 6/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
KCNA5 P22460 1/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL6802293 0.83 MEN1 (0.45) MEN1KMT2ANPC1TP53LMNA
SCHEMBL6800779 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL6801408 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL27545499 0.80 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL6799101 0.77 CYP19A1 (0.40)
SCHEMBL6800189 0.74 POLB (0.42) KMT2APOLBGAAMAPKAPK2
SCHEMBL6798881 0.73 NR3C1 (0.37) POLB
SCHEMBL28311575 0.72 KMT2A (0.63) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL28310732 0.71 MEN1 (0.80) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL1067888 0.70 PREP (0.43) ALDH1A1MAPT

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 2 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