SCHEMBL6965330

SCHEMBL6965330

O=C(OCCc1ccc(Cc2c[nH]cn2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
TYR P14679 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6974399 1.00 ESR1 (0.42) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL6966686 0.92 ESR1 (0.43) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL6973329 0.92 ESR1 (0.43) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL6960634 0.88 KMT2A (0.50) NPC1RAB9AMAPTGAAMEN1
SCHEMBL6961218 0.88 KMT2A (0.50) NPC1RAB9AMAPTGAAMEN1
SCHEMBL6972584 0.86 L3MBTL1 (0.43) MAPTSMN1; SMN2GAAKMT2AHRH4
SCHEMBL6968612 0.84 ROCK2 (0.47) NPC1RAB9AMAPTSMN1; SMN2HRH4
SCHEMBL6970271 0.84 HRH4 (0.44) MEN1KMT2AHRH4HRH3LMNA
SCHEMBL6964272 0.82 KMT2A (0.49) NPC1RAB9AMAPTGAAMEN1
SCHEMBL6962441 0.82 KMT2A (0.49) NPC1RAB9AMAPTGAAMEN1

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-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed