SCHEMBL7863726

SCHEMBL7863726

O=CCc1ccc(-c2cscn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
CARM1 Q86X55 3/20 0.38
PRMT1 Q99873 3/20 0.38
CHEK2 O96017 1/20 0.37
PARP1 P09874 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CHRM1 P11229 4/20 0.33
PDE2A O00408 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
SYK P43405 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL27803026 0.84 CARM1 (0.40) ESR1CARM1PRMT1CHEK2PARP1
SCHEMBL7855710 0.80 HCRTR1 (0.43) ESR1CHEK2PARP1KDM4AKDM4B
SCHEMBL8220811 0.78 HRH3 (0.48) CARM1PRMT1CHEK2PARP1ADRB2
SCHEMBL19268046 0.78 CARM1 (0.40) ESR1CARM1PRMT1CHEK2PARP1
SCHEMBL1259158 0.78 CARM1 (0.40) ESR1CARM1PRMT1CHEK2PARP1
SCHEMBL533611 0.78 FYN (0.45) ESR1CARM1PRMT1CHEK2PARP1
SCHEMBL534208 0.78 ESR1 (0.42) ESR1CHEK2PARP1ADRB2ADRB1
SCHEMBL8233552 0.78 METAP2 (0.44) ESR1CARM1PRMT1KDM4ENPC1
SCHEMBL17440027 0.78 CARM1 (0.40) ESR1CARM1PRMT1CHEK2PARP1
SCHEMBL7855627 0.77 SCN9A (0.35) ESR1CARM1PRMT1CHEK2PARP1

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
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed