SCHEMBL8039832

SCHEMBL8039832

CC(=O)c1sc2c(Br)cccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.44
PDE10A Q9Y233 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
PRNP P04156 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1851331 0.87 GPR35 (0.60) GPR35NPSR1RXFP1PRNPPKM
SCHEMBL17204739 0.83 LMNA (0.44) GPR35PDE10ASMN1; SMN2NPSR1RXFP1
SCHEMBL1850633 0.80 MAPT (0.44) SMN1; SMN2NPSR1RXFP1KDM4ELMNA
SCHEMBL31728316 0.76 GPR35 (0.32) GPR35RXFP1PKMKDM4ELMNA
SCHEMBL1850127 0.76 GPR35 (0.48) GPR35SMN1; SMN2RXFP1KDM4ELMNA
SCHEMBL10144278 0.75 GPR35 (0.73) GPR35NPSR1RXFP1PKM
SCHEMBL2093340 0.74 PSMB8 (0.36) GPR35
SCHEMBL21950399 0.73 GPR35 (0.44) GPR35PRNPKMT2A
SCHEMBL2610250 0.72 RXFP1 (0.61) SMN1; SMN2RXFP1PRNPKDM4ELMNA
SCHEMBL7204195 0.71 MEN1 (0.37) GPR35RXFP1PRNPKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060508-A FOR TREATING URINARY STRESS INCONTINENCE, GASTROINTESTINAL DISORDERS, ULCERS, MIGRAINES SYNTHELABO (FR) 2000-05-09 US disclosed
EP-0923567-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1999-06-23 EP disclosed
WO-1998008834-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1998-03-05 WO disclosed