SCHEMBL6017009

SCHEMBL6017009

N#Cc1ccc(N)cc1.O=C(O)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.57
MAP2 P11137 1/20 0.44
RHEB Q15382 2/20 0.42
MAPK10 P53779 1/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
IDH1 O75874 1/20 0.38
PSMB8 P28062 1/20 0.37
PRSS12 P56730 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL523253 0.83 RHEB (0.54) PIN1RHEBKMT2AF7F3
SCHEMBL15625904 0.82 PIN1 (0.78) PIN1RHEBMAPK10FAAHMAPT
SCHEMBL30586477 0.82 PIN1 (0.78) PIN1RHEBMAPK10FAAHMAPT
SCHEMBL6017008 0.79 TMPRSS4 (0.54) PIN1KMT2AFAAHIDH1MAPT
SCHEMBL4399173 0.77 PIN1 (0.53) PIN1RHEBKMT2AMAPTNPC1
SCHEMBL20305429 0.74 PIN1 (1.00) PIN1KMT2AFAAHTP53MAPT
SCHEMBL3064168 0.73 KMT2A (0.46) MAP2RHEBKMT2AFAAHF7
SCHEMBL29414225 0.73 KMT2A (0.46) MAP2RHEBKMT2AFAAHF7
SCHEMBL14690377 0.72 PIN1 (0.58) PIN1MAP2RHEBMAPK10FAAH
SCHEMBL20495425 0.72 PIN1 (0.61) PIN1

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
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed