SCHEMBL4543075

SCHEMBL4543075

C/C(=N\O)c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 1/20 0.36
PRSS3 P35030 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL4543078 1.00 PRSS1 (0.38) PRSS1NPC1RAB9AKMT2AMEN1
Oxalic Acid SCHEMBL7987283 0.94 KMT2A (0.41) KMT2AMEN1ALDH1A1SMPD1
Oxalic Acid SCHEMBL7987278 0.94 KMT2A (0.41) KMT2AMEN1ALDH1A1SMPD1
SCHEMBL7987286 0.86 HIF1A (0.39) PRSS1KMT2AMEN1ALDH1A1SMPD1
SCHEMBL4379687 0.85 KMT2A (0.50) RAB9AKMT2AMEN1ALDH1A1
SCHEMBL647792 0.85 FURIN (0.43) NPC1RAB9A
SCHEMBL647793 0.85 FURIN (0.43) NPC1RAB9A
SCHEMBL4543312 0.82 KMT2A (0.49) KMT2AMEN1ALDH1A1SMPD1
SCHEMBL4383633 0.81 KMT2A (0.45) KMT2ASMPD1
SCHEMBL4379352 0.80 KMT2A (0.39) PRSS1KMT2ASMPD1

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed