SCHEMBL5318232

SCHEMBL5318232

CC(C)(C)c1ccc(CSc2ccc(N)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
SCN9A Q15858 3/20 0.45
SCN5A Q14524 2/20 0.45
GRIN2C Q14957 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DAO P14920 1/20 0.42
NPC1 O15118 3/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
GPR183 P32249 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ESRRG P62508 1/20 0.40
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5321466 0.85 MAPT (0.60) SCN9AMAPTDAOALDH1A1L3MBTL1
SCHEMBL5320880 0.83 L3MBTL1 (0.51) RAB9AKDM4EPOLBSCN9AMAPT
SCHEMBL5321360 0.80 MEN1 (0.57) RAB9AMAPTLMNASMN1; SMN2DAO
SCHEMBL5321338 0.80 CXCR2 (0.47) RAB9AKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL5648662 0.79 L3MBTL1 (0.48) RAB9APOLBMAPTSMN1; SMN2NPC1
SCHEMBL5654702 0.79 MAPT (0.56) RAB9AKDM4ESCN9AMAPTALDH1A1
SCHEMBL5320690 0.77 MAPT (0.60) RAB9AKDM4EPOLBMAPTLMNA
SCHEMBL11714659 0.76 RAB9A (0.50) RAB9AKDM4EPOLBMAPTNPC1
SCHEMBL5368718 0.76 ALDH1A1 (0.61) RAB9ASCN9ASCN5AGRIN2CMAPT
SCHEMBL5649167 0.73 CXCR2 (0.51) MAPTLMNASMN1; SMN2DAOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007091140-A1 SUBSTITUTED PHENYLSULFAMOYL COMPOUNDS AS PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed