SCHEMBL7426326

SCHEMBL7426326

C#CCn1c(C(=O)NCc2ccncc2)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.50
F10 P00742 5/20 0.49
HTT P42858 3/20 0.46
BRD4 O60885 1/20 0.46
NAMPT P43490 1/20 0.45
MMP13 P45452 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
USP2 O75604 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NPY5R Q15761 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 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
SCHEMBL7712483 0.80 F10 (0.53) NTRK1F10BRD4NAMPT
SCHEMBL6432441 0.78 F10 (0.58) F10BRD4NAMPT
SCHEMBL7712499 0.77 F10 (0.62) NTRK1F10BRD4
SCHEMBL27513004 0.76 LMNA (0.51) HTTMMP13MAPK1LMNASMN1; SMN2
SCHEMBL6436996 0.75 F10 (0.71) F10
SCHEMBL7425362 0.75 CCR2 (0.63) TSHRALDH1A1POLB
SCHEMBL15230850 0.74 NAMPT (0.57) NTRK1HTTNAMPTMMP13LMNA
SCHEMBL29356588 0.74 NAMPT (0.57) NTRK1HTTNAMPTMMP13LMNA
SCHEMBL7425163 0.73 MTNR1A (0.58) F10SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL7047250 0.72 F10 (0.59) F10HTTTSHRMAPTALDH1A1

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