SCHEMBL9690486

SCHEMBL9690486

COC(=O)Oc1c(-c2ccccc2)nc2c(c1N)c1c(n2Cc2ccc(OC)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.47
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GLA P06280 4/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HTR6 P50406 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 4/20 0.36

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
SCHEMBL9689810 0.87 FABP4 (0.43) FABP4KDM4EALDH1A1GLAGAA
SCHEMBL9688920 0.86 FABP4 (0.52) FABP4KDM4EALDH1A1GLAGAA
SCHEMBL9690796 0.77 FABP4 (0.50) FABP4KDM4EALDH1A1GLAGAA
SCHEMBL9690953 0.71 GABRP (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9382989 0.71 HTR6 (0.44) FABP4KDM4EALDH1A1HTR6CYP3A4
SCHEMBL9382045 0.71 ALDH1A1 (0.46) FABP4KDM4EALDH1A1GAAHPGD
SCHEMBL9689722 0.70 FABP4 (0.47) FABP4KDM4EALDH1A1HTR6SMN1; SMN2
SCHEMBL9383301 0.69 CYP11B2 (0.46) FABP4KDM4EALDH1A1GLAGAA
SCHEMBL17406863 0.66 FABP4 (0.47) FABP4KDM4EALDH1A1HTR6SMN1; SMN2
SCHEMBL9688937 0.65 GABRP (0.50) KDM4EALDH1A1GLAGAAHPGD

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
EP-0249301-B1 Pyrido[2,3-b]indoles BEECHAM GROUP PLC (GB) 1992-05-27 EP claimed