SCHEMBL9349658

SCHEMBL9349658

CCCCCCCCCCCCCCCCCCOc1cc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ CYP19A1 P11511 4/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 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
SCHEMBL9349663 1.00 MAPT (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9350508 0.94 ESR1 (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9350506 0.94 ESR1 (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9349839 0.90 MAPT (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9349828 0.90 MAPT (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9353368 0.86 CYP19A1 (0.44) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9353373 0.86 CYP19A1 (0.44) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9349700 0.85 CYP19A1 (0.39) MAPTKMT2AKCNH2ESR1CYP19A1
SCHEMBL9349703 0.85 CYP19A1 (0.39) MAPTKMT2AKCNH2ESR1CYP19A1
SCHEMBL3171264 0.85 CYP19A1 (0.39) MAPTKMT2AKCNH2ESR1CYP19A1

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
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 — — US claimed
EP-0457184-B1 Naphthol derivatives, method for their preparation and use therefor BOEHRINGER MANNHEIM GMBH (DE) 1994-08-17 — — EP disclosed
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 — — US disclosed
EP-0457184-A2 Naphthol derivatives, method for their preparation and use therefor Roche Diagnostics GmbH (DE) 1991-11-21 — — EP disclosed
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