SCHEMBL9048488

SCHEMBL9048488

O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ MCL1 Q07820 4/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ POLB P06746 2/20 1.00
▸ PKM P14618 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ ALDH1A1 P00352 1/20 0.54
▸ DYRK1A Q13627 1/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ PSD A5PKW4 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9976033 1.00 MAPT (1.00) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL12490766 0.92 RAB9A (0.85) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL9975998 0.87 RAB9A (0.76) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL1249806 0.87 RAB9A (0.76) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL15425120 0.86 MAPT (0.76) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL17255200 0.79 NPC1 (0.65) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL15425062 0.78 KMT2A (0.70) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL6231163 0.78 RAB9A (0.79) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL9976032 0.77 MAPT (0.62) MAPTMCL1RAB9AKMT2AMEN1
SCHEMBL6263733 0.76 RAB9A (0.61) MAPTMCL1RAB9AKMT2AMEN1

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-0731796-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 — — EP claimed
WO-1995015318-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 — — WO claimed
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