SCHEMBL4143741

SCHEMBL4143741

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(N2CCCC2=O)cn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
TSHR P16473 2/20 0.59
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK14 Q16539 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
RIPK2 O43353 11/20 0.52

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
SCHEMBL4007396 0.85 MAPK14 (0.60) CYP2C9MAPK14RIPK2
SCHEMBL4002899 0.85 MAPK14 (0.57) CYP2C9MAPK14RIPK2
SCHEMBL4006648 0.84 MAPK14 (0.56) CYP2C9MAPK14RIPK2
SCHEMBL4003640 0.79 MAPK14 (0.53) CYP2C9MAPK14SMN1; SMN2RIPK2
SCHEMBL14326940 0.77 MAPK14 (0.74) CYP2C9MAPK14RIPK2
SCHEMBL4003034 0.77 MAPK14 (0.68) CYP2C9MAPK14RIPK2
SCHEMBL4003547 0.76 HDAC1 (0.54) CYP2C9MAPK14RIPK2
SCHEMBL3093442 0.76 MAPK14 (0.77) CYP2C9MAPK14RIPK2
SCHEMBL3079711 0.76 MAPK14 (0.70) CYP2C9MAPK14RIPK2
SCHEMBL4003836 0.75 MAPK14 (0.55) CYP2C9MAPK14RIPK2

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
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO disclosed
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO disclosed