SCHEMBL9689810

SCHEMBL9689810

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.43
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9690486 0.87 FABP4 (0.47) FABP4HTR6ALDH1A1HPGDHSD17B10
SCHEMBL9690796 0.84 FABP4 (0.50) FABP4HTR6ALDH1A1HPGDHSD17B10
SCHEMBL9690953 0.80 GABRP (0.52) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL9688920 0.75 FABP4 (0.52) FABP4HTR6ALDH1A1HPGDHSD17B10
SCHEMBL9382989 0.74 HTR6 (0.44) FABP4HTR6ALDH1A1KDM4EACHE
SCHEMBL9689722 0.73 FABP4 (0.47) FABP4HTR6ALDH1A1KDM4ELMNA
SCHEMBL9689821 0.73 GABRP (0.50) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL9688937 0.72 GABRP (0.50) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL9383301 0.72 CYP11B2 (0.46) FABP4HTR6ALDH1A1HPGDHSD17B10
SCHEMBL9689811 0.71 GABRP (0.46) ALDH1A1HPGDHSD17B10KDM4EGLA

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