SCHEMBL7276328

SCHEMBL7276328

N#Cc1cc(-c2ccccc2)c(C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDT P30046 1/20 0.48
LDHA P00338 1/20 0.45
PTPN1 P18031 2/20 0.41
HNF4A P41235 1/20 0.40
BRS3 P32247 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
FOLH1 Q04609 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL25308857 0.80 BRS3 (0.37) DDTLDHABRS3GABRPGABRD
SCHEMBL31207938 0.80 BRS3 (0.37) DDTLDHABRS3GABRPGABRD
SCHEMBL22717406 0.79 GPR35 (0.46) AKR1C3AKR1C2XDH
SCHEMBL30282681 0.79 GPR35 (0.46) AKR1C3AKR1C2XDH
SCHEMBL29573949 0.79 GPR35 (0.46) AKR1C3AKR1C2XDH
SCHEMBL21063471 0.78 GABRP (0.39) LDHAXDHGABRPGABRDGABRA1
SCHEMBL29914342 0.77 DDT (0.74) DDTLDHAPTPN1HNF4AAKR1C3
SCHEMBL686861 0.77 DDT (0.74) DDTLDHAPTPN1HNF4AAKR1C3
SCHEMBL7222569 0.76 MYC (0.50) LDHAHNF4ABRS3XDHSLC22A12
SCHEMBL9256985 0.76 SLC22A12 (0.56) PTPN1HNF4APTGDR2XDHSLC22A12

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
US-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed