SCHEMBL7973153

SCHEMBL7973153

O=Cc1cncn1Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.58
CYP11B2 P19099 6/20 0.58
CYP2A6 P11509 4/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KDR P35968 4/20 0.45
TEK Q02763 4/20 0.45
ERN1 O75460 1/20 0.45
GRM2 Q14416 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
EPHB4 P54760 2/20 0.43
IDO1 P14902 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5935193 0.89 CYP11B1 (0.63) CYP11B1CYP11B2IDO1
SCHEMBL8133106 0.83 CYP11B1 (0.63) CYP11B1CYP11B2CYP2A6SMN1; SMN2IDO1
SCHEMBL7983220 0.82 CYP11B1 (0.62) CYP11B1CYP11B2SMN1; SMN2IDO1ALDH1A1
SCHEMBL8138162 0.81 CYP11B1 (0.55) CYP11B1CYP11B2GRM2IDO1CYP3A4
SCHEMBL1757759 0.79 CYP11B1 (0.66) CYP11B1CYP11B2IDO1ALDH1A1
SCHEMBL7696643 0.79 CYP11B1 (0.66) CYP11B1CYP11B2IDO1ALDH1A1
SCHEMBL8135755 0.79 CYP11B1 (0.65) CYP11B1CYP11B2IDO1ALDH1A1
SCHEMBL8131698 0.78 CYP11B1 (0.58) CYP11B1CYP11B2CYP2A6GRM2IDO1
SCHEMBL14476244 0.78 CYP11B1 (0.58) CYP11B1CYP11B2MKNK1MKNK2TEK
SCHEMBL1758083 0.78 CYP11B1 (0.68) CYP11B1CYP11B2CYP2A6SMN1; SMN2IDO1

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
WO-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed