SCHEMBL17385520

SCHEMBL17385520

O=C(O)c1nn(-c2cc(Cl)cc(Cl)c2)c2c1COc1cc(O)c(Br)cc1-2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NR1H4 Q96RI1 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ PIK3CD O00329 2/20 0.31
▸ PIK3R2 O00459 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ PIK3R5 Q8WYR1 2/20 0.31
▸ PIK3R3 Q92569 2/20 0.31
▸ ESRRB O95718 2/20 0.31
▸ ESRRA P11474 2/20 0.31
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL30885869 0.87 CCNA2 (0.39) CYP1A2HIF1ANR1H4ALDH1A1CCNA2
SCHEMBL17381608 0.87 CCNA2 (0.39) CYP1A2HIF1ANR1H4ALDH1A1CCNA2
SCHEMBL17385521 0.85 L3MBTL1 (0.42) CYP1A2KDM4EALDH1A1CCNA2CDK2
SCHEMBL31236979 0.78 CCNA2 (0.39) CYP1A2HIF1ACCNA2CDK2CCNA1
SCHEMBL31236976 0.78 CCNA2 (0.39) CYP1A2HIF1ACCNA2CDK2CCNA1
SCHEMBL30886155 0.77 CCNA2 (0.38) CYP1A2HIF1AALDH1A1PTGS2CCNA2
SCHEMBL17381996 0.76 CCNA2 (0.46) KDM4EALDH1A1CCNA2CDK2CCNA1
SCHEMBL17382365 0.76 CCNA2 (0.39) NR1H4CCNA2CDK2CCNA1PIK3CD
SCHEMBL17381607 0.75 CCNA2 (0.43) KDM4EALDH1A1CCNA2CDK2CCNA1
SCHEMBL29538955 0.75 CCNA2 (0.43) KDM4EALDH1A1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015196335-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 — — WO disclosed
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