SCHEMBL9779299

SCHEMBL9779299

Cc1cc(-c2cccc(C#N)c2)c(C(=O)O)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.55
PIN1 Q13526 1/20 0.52
SLC22A12 Q96S37 2/20 0.46
XDH P47989 1/20 0.46
GRM5 P41594 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
EIF4E P06730 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9779442 0.88 F11 (0.54) F11PIN1SLC22A12XDHALDH1A1
SCHEMBL9779485 0.82 ADORA3 (0.51) F11PIN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4509671 0.80 FABP3 (0.51) PIN1GRM5ALDH1A1SMN1; SMN2NPC1
SCHEMBL9779236 0.77 ALDH1A1 (0.48) F11PIN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31663605 0.76 CLK4 (0.47) F11PIN1GRM5ABCG2
SCHEMBL5557535 0.76 CLK4 (0.47) F11PIN1GRM5ABCG2
SCHEMBL4775928 0.76 F11 (0.54) F11PIN1SLC22A12XDHGRM5
SCHEMBL7076894 0.75 F11 (0.51) F11PIN1SLC22A12XDHGRM5
SCHEMBL9779267 0.74 CD274 (0.52) ALDH1A1HPGD
SCHEMBL9779393 0.73 ADORA3 (0.51) F11PIN1ALDH1A1SMN1; SMN2KDM4E

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-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed