SCHEMBL9739475

SCHEMBL9739475

[c]1cc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
LIMK1 P53667 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
PLK4 O00444 1/20 0.42
MAPK9 P45984 1/20 0.42
AKT3 Q9Y243 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNF P01375 1/20 0.38
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37

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
SCHEMBL9212052 0.77 IMPDH2 (0.38) KDRCYP2A6
SCHEMBL2391683 0.72 ALDH1A1 (0.52) METAP2LIMK1CLK4ALDH1A1HSD17B10
SCHEMBL30174980 0.70 CDK4 (0.60) METAP2LIMK1CLK4PLK4MAPK9
SCHEMBL21765723 0.70 CDK4 (0.60) METAP2LIMK1CLK4PLK4MAPK9
SCHEMBL2193011 0.69 PIK3CD (0.70) METAP2LIMK1CLK4PLK4MAPK9
SCHEMBL29712113 0.69 PIK3CD (0.70) METAP2LIMK1CLK4PLK4MAPK9
SCHEMBL442418 0.68 DAO (0.39)
SCHEMBL539330 0.68 CYP1A2 (0.46) ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL4276905 0.68 CYP1A2 (0.46) CYP2A6GAA
SCHEMBL9740801 0.68 MEN1 (0.47) BCL2L1GAA

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed