SCHEMBL6797939

SCHEMBL6797939

N#Cc1ccc(NCc2ccsc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
CACNA1B Q00975 4/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
LRRK2 Q5S007 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CYP3A4 P08684 1/20 0.40
GHSR Q92847 1/20 0.40
GRM5 P41594 1/20 0.40
CACNA1H O95180 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL28130803 0.85 NPC1 (0.51) NPC1LOXL2LRRK2HDAC6GRM5
SCHEMBL934411 0.81 NOS1 (0.51) NPC1LRRK2HDAC6CYP3A4GRM5
SCHEMBL5992317 0.80 LOXL2 (0.63) CACNA1BLOXL2LRRK2HDAC6GHSR
SCHEMBL10078294 0.80 LOXL2 (0.63) CACNA1BLOXL2LRRK2HDAC6GHSR
SCHEMBL16591628 0.77 NPC1 (0.67) NPC1KDM4EALDH1A1HPGDCA12
SCHEMBL16586060 0.77 NPC1 (0.67) NPC1HDAC6KDM4C
SCHEMBL454284 0.77 NPC1 (0.67) NPC1HDAC6KDM4C
Hydrochloric Acid SCHEMBL6297807 0.76 NPC1 (0.70) NPC1HDAC6KDM4C
SCHEMBL510619 0.75 HTT (0.58) CACNA1BLOXL2GHSRKDM4EALDH1A1
SCHEMBL24496667 0.75 NPC1 (0.63) NPC1CYP3A4GRM5CYP1A2CYP2C9

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
CN-1308297-C Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2007-04-04 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed