SCHEMBL7994461

SCHEMBL7994461

CC(=O)c1ccc(NC(=O)OCCCc2c[nH]cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CASP1 P29466 1/20 0.47
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7972926 0.88 PKM (0.46) RAB9ANPC1SMN1; SMN2CASP1HPGD
SCHEMBL4387581 0.87 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL7974587 0.85 NPC1 (0.46) RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL7973065 0.85 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL7971223 0.85 MEN1 (0.52) RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL7961372 0.85 NPC1 (0.62) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL7960977 0.82 NPC1 (0.43) RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL4376187 0.82 L3MBTL1 (0.59) SMN1; SMN2LMNAALDH1A1
SCHEMBL8934796 0.81 EPHX2 (0.46) RAB9ANPC1LMNA
Oxalic Acid SCHEMBL7994699 0.77 CHEK1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1

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-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