SCHEMBL6802293

SCHEMBL6802293

CC(C)(C)[Si](C)(C)Oc1ccc(CN(C(=O)c2ccsc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PDK1 Q15118 7/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PTGES O14684 3/20 0.40
ALOX5 P09917 3/20 0.40
MAPKAPK2 P49137 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MLYCD O95822 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NSD2 O96028 1/20 0.35

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
SCHEMBL6802630 0.83 MEN1 (0.55) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL6798512 0.81 MEN1 (0.55) MEN1KMT2ANPC1CHRM2CHRM1
SCHEMBL6800942 0.80 CYP19A1 (0.52) MEN1KMT2ANPC1CHRM2CHRM1
SCHEMBL27571949 0.80 MEN1 (0.54) MEN1KMT2ANPC1CHRM2CHRM1
SCHEMBL6799101 0.77 CYP19A1 (0.40)
SCHEMBL6800189 0.72 POLB (0.42) KMT2AMAPKAPK2POLB
SCHEMBL6798881 0.71 NR3C1 (0.37) POLB
SCHEMBL1067888 0.70 PREP (0.43) MAPT
SCHEMBL18355840 0.70 PREP (0.41) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL6806143 0.69 PTGES (0.40) MEN1KMT2ANPC1CHRM2CHRM1

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