SCHEMBL9349828

SCHEMBL9349828

CCCCCCCCCCCCCCCCCCOc1cc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Br)c2ccccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 3/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ NPC1 O15118 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
▸ CYP19A1 P11511 4/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL9349839 1.00 MAPT (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL3171264 0.94 CYP19A1 (0.39) MAPTKMT2AKCNH2CYP19A1MEN1
SCHEMBL31462867 0.94 CYP19A1 (0.39) MAPTKMT2AKCNH2CYP19A1MEN1
SCHEMBL9349703 0.94 CYP19A1 (0.39) MAPTKMT2AKCNH2CYP19A1MEN1
SCHEMBL3171270 0.94 CYP19A1 (0.39) MAPTKMT2AKCNH2CYP19A1MEN1
SCHEMBL9349700 0.94 CYP19A1 (0.39) MAPTKMT2AKCNH2CYP19A1MEN1
SCHEMBL9349663 0.90 MAPT (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL9349658 0.90 MAPT (0.40) MAPTKMT2ANPSR1LMNAALDH1A1
SCHEMBL8746008 0.87 ALPL (0.37) MAPTKMT2AKCNH2CYP19A1MEN1
SCHEMBL9349797 0.87 CYP19A1 (0.40) MAPTKMT2AHPGDCYP1A2CYP3A4

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-0457184-B1 Naphthol derivatives, method for their preparation and use therefor BOEHRINGER MANNHEIM GMBH (DE) 1994-08-17 — — EP disclosed
EP-0457184-A2 Naphthol derivatives, method for their preparation and use therefor Roche Diagnostics GmbH (DE) 1991-11-21 — — EP disclosed
Send feedback