SCHEMBL10355417

SCHEMBL10355417

Cc1nc(Oc2cccc(C)c2C)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ DHFR P00374 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TNKS O95271 2/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ PARP2 Q9UGN5 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ CCNB2 O95067 1/20 0.37

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
Hydrochloric Acid SCHEMBL10355308 0.99 CYP1A2 (0.53) CYP1A2CYP2C19CYP3A4CYP2D6L3MBTL1
SCHEMBL10355416 0.89 MAPT (0.42) CYP1A2CYP2C19CYP3A4CYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL10355378 0.88 MAPT (0.41) CYP1A2CYP2C19CYP3A4CYP2D6L3MBTL1
SCHEMBL10355369 0.82 DHPS (0.48) L3MBTL1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL10355415 0.81 DHPS (0.47) L3MBTL1GAAMAPTMEN1KMT2A
SCHEMBL10355266 0.80 SLC2A1 (0.42) CYP1A2CYP2C19MEN1KMT2ANPSR1
SCHEMBL10999375 0.79 MAPK13 (0.48) CYP1A2CYP3A4GAAMAPTMEN1
Hydrochloric Acid SCHEMBL10355348 0.79 SLC2A1 (0.41) CYP1A2CYP2C19MEN1KMT2ANPSR1
SCHEMBL10355386 0.73 ALDH1A1 (0.44) CYP1A2CYP2C19CYP2D6L3MBTL1MAPT
SCHEMBL7041734 0.68 KDM4E (0.67) KDM4ECCNB2CDK1CCNB1GSK3A

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-0074130-B1 NEW IMIDAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON S.p.A. (IT) 1990-09-19 — — EP claimed
EP-0074130-B1 NEW IMIDAZOLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON S.p.A. (IT) 1990-09-19 — — EP disclosed
US-4560696-A Analgesic, antipyretic or anti-inflammatory imidazole compounds ZAMBON S.P.A. (IT) 1985-12-24 — — US disclosed
EP-0074130-A2 New imidazole compounds, process for the preparation thereof and pharmaceutical compositions containing them ZAMBON S.p.A. (IT) 1983-03-16 — — EP disclosed
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