SCHEMBL4394341

SCHEMBL4394341

O=C(Oc1cccc(OCCCc2c[nH]cn2)c1)C(=O)Oc1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NSD2 O96028 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 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
SCHEMBL4383478 0.82 CHRNB2 (0.47)
SCHEMBL4379687 0.82 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2A
Oxalic Acid SCHEMBL4394339 0.82 CNR1 (0.42) KDM4EALDH1A1SMN1; SMN2NSD2KMT2A
SCHEMBL4383633 0.80 KMT2A (0.45) KMT2A
SCHEMBL7994413 0.80 HCAR2 (0.41) HSD17B10
SCHEMBL4387266 0.79 CHRM5 (0.37) HSD17B10
SCHEMBL4381027 0.79 MAOA (0.46) KMT2A
SCHEMBL7987286 0.79 HIF1A (0.39) ALDH1A1KMT2A
SCHEMBL4543312 0.79 KMT2A (0.49) ALDH1A1KMT2A
Oxalic Acid SCHEMBL7990786 0.78 KDM4E (0.52) MCL1KDM4EALDH1A1KMT2A

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 4 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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 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