SCHEMBL6964272

SCHEMBL6964272

O=C(OCc1ccc(Cl)cc1)c1ccc(CCc2c[nH]cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.44
MMP2 P08253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.40
NR4A2 P43354 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6962441 1.00 KMT2A (0.49) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL6973329 0.90 ESR1 (0.43) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL6966686 0.90 ESR1 (0.43) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL6960634 0.89 KMT2A (0.50) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL6961218 0.89 KMT2A (0.50) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL6972503 0.85 MEN1 (0.43) KMT2AMAPTMEN1L3MBTL1MMP2
SCHEMBL6970345 0.85 ALDH1A1 (0.44) KMT2AMAPTMEN1L3MBTL1MMP2
SCHEMBL6972709 0.83 NPC1 (0.52) KMT2AMAPTMEN1NPSR1CYP2C9
SCHEMBL6965330 0.82 ESR1 (0.42) KMT2AMAPTMEN1NPSR1L3MBTL1
SCHEMBL6974399 0.82 ESR1 (0.42) KMT2AMAPTMEN1NPSR1L3MBTL1

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