SCHEMBL3130253

SCHEMBL3130253

CC(=O)c1sc(Br)c(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.43
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
CISD2 Q8N5K1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 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
SCHEMBL3116158 0.82 ALDH1A1 (0.44) GPR35HPGDALDH1A1HSD17B10CISD2
SCHEMBL3228565 0.77 POLB (0.47) GPR35HPGDALDH1A1TP53LMNA
SCHEMBL6803577 0.77 GPR35 (0.47) GPR35HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3066973 0.76 ALDH1A1 (0.62) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6808074 0.72 GPR35 (0.42) GPR35HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL8290785 0.72 ALDH1A1 (0.58) HPGDALDH1A1HSD17B10TP53LMNA
SCHEMBL1498222 0.70 GSK3B (0.44) GPR35ALDH1A1CYP1A2PTPN1
SCHEMBL5727379 0.68 GPR35 (0.42) GPR35ALDH1A1LMNAPOLBRECQL
SCHEMBL4753776 0.68 GPR35 (0.68) GPR35HPGDALDH1A1LMNANPSR1
SCHEMBL319190 0.68 GPR35 (0.57) GPR35HPGDALDH1A1NPSR1PTPN1

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-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed