SCHEMBL8746012

SCHEMBL8746012

CCCCCCCCCCCCCCCCCCOc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc2c1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ RRM1 P23921 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP19A1 P11511 4/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ S1PR1 P21453 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL8746008 1.00 ALPL (0.37) ALPLALPGRRM1MAPTGAA
SCHEMBL9349700 0.91 CYP19A1 (0.39) RRM1MAPTGAACYP19A1MEN1
SCHEMBL9349703 0.91 CYP19A1 (0.39) RRM1MAPTGAACYP19A1MEN1
SCHEMBL3171264 0.91 CYP19A1 (0.39) RRM1MAPTGAACYP19A1MEN1
SCHEMBL3171270 0.91 CYP19A1 (0.39) RRM1MAPTGAACYP19A1MEN1
SCHEMBL31462867 0.91 CYP19A1 (0.39) RRM1MAPTGAACYP19A1MEN1
SCHEMBL9349839 0.87 MAPT (0.40) ALPGMAPTGAACYP19A1MEN1
SCHEMBL9349828 0.87 MAPT (0.40) ALPGMAPTGAACYP19A1MEN1
SCHEMBL9349669 0.87 CYP19A1 (0.41) ALPLALPGRRM1MAPTCYP19A1
SCHEMBL9349662 0.87 CYP19A1 (0.41) ALPLALPGRRM1MAPTCYP19A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302346-A Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1994-04-12 — — US claimed
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 — — US claimed
EP-0457182-B1 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor BOEHRINGER MANNHEIM GMBH (DE) 1997-02-26 — — EP disclosed
EP-0461392-B1 Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1996-01-10 — — EP disclosed
EP-0457184-B1 Naphthol derivatives, method for their preparation and use therefor BOEHRINGER MANNHEIM GMBH (DE) 1994-08-17 — — EP disclosed
US-5302346-A Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1994-04-12 — — US disclosed
US-5215924-A Water immiscibility; ionophore; pH indicator which undergoes color change; sensitizer/stabilizer BOEHRINGER MANNHEIM GMBH (DE) 1993-06-01 — — US disclosed
US-5211914-A TEST CARRIER FOR THE DETERMINATION OF IONS BOEHRINGER MANNHEIM GMBH (DE) 1993-05-18 — — US disclosed
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 — — US disclosed
EP-0461392-A2 Test carrier for the determination of ions Roche Diagnostics GmbH (DE) 1991-12-18 — — EP disclosed
EP-0457182-A2 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor Roche Diagnostics GmbH (DE) 1991-11-21 — — EP 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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