SCHEMBL9023637

SCHEMBL9023637

O=C(OCc1ccc(Cl)cc1)c1cccc(Cc2c[nH]cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MMP2 P08253 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
NR4A2 P43354 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL9027127 0.90 MAPT (0.41) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL6961218 0.87 KMT2A (0.50) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL6960634 0.87 KMT2A (0.50) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL9080811 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL6967651 0.82 KMT2A (0.56) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL9028085 0.81 KMT2A (0.55) ALDH1A1L3MBTL1KMT2AMAPTGAA
SCHEMBL10511862 0.81 LOXL2 (0.38) KMT2ARAB9ANPC1MRGPRX4SMN1; SMN2
SCHEMBL9028240 0.80 RAB9A (0.55) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL9033928 0.80 SMN1; SMN2 (0.38) L3MBTL1KMT2ARAB9ANPC1MRGPRX4
SCHEMBL6964272 0.79 KMT2A (0.49) ALDH1A1L3MBTL1CYP2C9CYP2C19NPSR1

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-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed