SCHEMBL9349705

SCHEMBL9349705

CCCCCCCCCCCCCCCCCCOc1cc(N=Nc2ccc(S(=O)(=O)CC)cc2[N+](=O)[O-])c2ccccc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ CYP19A1 P11511 4/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ S1PR3 Q99500 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
SCHEMBL9349702 1.00 MAPT (0.41) MAPTKDM4EMEN1NPC1HTT
SCHEMBL9353373 0.89 CYP19A1 (0.44) MAPTMEN1KMT2ATDP1ESR1
SCHEMBL9353368 0.89 CYP19A1 (0.44) MAPTMEN1KMT2ATDP1ESR1
SCHEMBL9349694 0.85 MAPT (0.44) MAPTKDM4EMEN1NPC1RAB9A
SCHEMBL9349686 0.85 MAPT (0.44) MAPTKDM4EMEN1NPC1RAB9A
SCHEMBL9350506 0.83 ESR1 (0.40) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL9350508 0.83 ESR1 (0.40) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL9349863 0.82 ESR1 (0.40) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL9349861 0.82 ESR1 (0.40) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL9350534 0.81 CYP19A1 (0.48) MAPTMEN1KMT2ATDP1MAPK1

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 3 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
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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