SCHEMBL9779485

SCHEMBL9779485

Cc1cc(-c2cccc(C#N)c2)c(C(=O)OCc2ccccc2)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
F11 P03951 1/20 0.43
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIN1 Q13526 1/20 0.41
POLB P06746 2/20 0.41
TACR1 P25103 2/20 0.40

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
SCHEMBL9779393 0.92 ADORA3 (0.51) ADORA3F11GABRG2GABRB3GABRA5
SCHEMBL9779299 0.82 F11 (0.55) F11ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL9779236 0.79 ALDH1A1 (0.48) ADORA3F11ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9779447 0.76 SMN1; SMN2 (0.45) ADORA3F11ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2510353 0.76 SMN1; SMN2 (0.65) ADORA3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL21594770 0.75 TDP1 (0.50) ADORA3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9779442 0.74 F11 (0.54) F11GABRG2GABRB3GABRA5GABRA3
SCHEMBL21594758 0.74 SMN1; SMN2 (0.53) ADORA3GABRG2GABRB3GABRA5GABRA3
SCHEMBL29108575 0.74 TDP1 (0.49) ADORA3ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL10377682 0.72 KDM4E (0.58) ADORA3ALDH1A1L3MBTL1SMN1; 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