SCHEMBL8317153

SCHEMBL8317153

C=C(CN(C)C(=O)CCC(NC(=C)c1cc(Cl)c(C(=O)N2CCCC2)cc1/N=C\N)c1nc2cc(Cl)ccc2[nH]1)NC

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
APOBEC3A P31941 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL8324737 0.91 ALDH1A1 (0.31) MEN1ALDH1A1ALOX12APOBEC3AKMT2A
SCHEMBL8324513 0.87
SCHEMBL8323491 0.86 CCKBR (0.33) MEN1ALDH1A1ALOX12APOBEC3AKMT2A
SCHEMBL8324387 0.82 HDAC3 (0.35) MEN1ALDH1A1ALOX12APOBEC3AKMT2A
SCHEMBL8325063 0.82 HRH4 (0.38) HRH4HRH3
SCHEMBL8322942 0.76 HSP90AA1 (0.36) KMT2A
SCHEMBL8324137 0.75 PRCP (0.33) HRH4HRH3
SCHEMBL8323902 0.74 GRIN2B (0.40) MEN1KMT2A
SCHEMBL8321485 0.74 HRH4 (0.31) HRH4HRH3
SCHEMBL8321181 0.74 RPS6KB1 (0.32) HRH4HRH3

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-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed