SCHEMBL7420717

SCHEMBL7420717

CN(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NAMPT P43490 2/20 0.49
IDO1 P14902 1/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
KMT2A Q03164 2/20 0.46
NTRK1 P04629 1/20 0.46

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
SCHEMBL27565366 0.80 CCR2 (0.54) F10ALDH1A1IDO1POLBKMT2A
SCHEMBL7423858 0.77 CCR2 (0.74) F10ALDH1A1IDO1LMNAPOLB
SCHEMBL7712483 0.73 F10 (0.53) F10NAMPTNTRK1
SCHEMBL7424288 0.73 NOD2 (0.69) F10MAPTHPGDKDM4EALDH1A1
SCHEMBL7712499 0.73 F10 (0.62) F10NTRK1
SCHEMBL6432441 0.72 F10 (0.58) F10NAMPT
SCHEMBL6432780 0.72 F10 (0.56) F10
SCHEMBL7812252 0.71 IDO1 (0.51) F10HPGDALDH1A1IDO1TP53
SCHEMBL6436996 0.71 F10 (0.71) F10
SCHEMBL7047250 0.71 F10 (0.59) F10MAPTALDH1A1TP53TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed