SCHEMBL4635101

SCHEMBL4635101

O=C(COc1c(C(=O)O)sc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
MCL1 Q07820 2/20 0.50
SENP5 Q96HI0 1/20 0.49
SENP2 Q9HC62 1/20 0.49
SENP1 Q9P0U3 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRA5 P31644 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.45
PRSS12 P56730 8/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4635045 0.91 PTPN1 (0.63) PTPN2PTPN1MCL1SENP5SENP2
SCHEMBL4603123 0.90 GABRA1 (0.56) PTPN2PTPN1MCL1SENP5SENP2
SCHEMBL4632954 0.89 PTPN1 (0.57) PTPN2PTPN1MCL1SENP5SENP2
SCHEMBL4633595 0.88 PTPN2 (0.56) PTPN2PTPN1MCL1SENP5SENP2
SCHEMBL4634468 0.88 PTPN2 (0.56) PTPN2PTPN1MCL1SENP5SENP2
SCHEMBL4634481 0.85 ALDH1A1 (0.60) SENP5SENP2SENP1GABRA1GABRA5
SCHEMBL4634967 0.83 EDNRA (0.54) PTPN2PTPN1SENP5SENP2SENP1
SCHEMBL4634440 0.83 SENP5 (0.52) PTPN2PTPN1MCL1SENP5SENP2
SCHEMBL4602915 0.82 GABRA1 (0.50) PTPN2PTPN1SENP5SENP2SENP1
SCHEMBL4603300 0.82 PTPN2 (0.51) PTPN2PTPN1MCL1SENP5SENP2

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
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed