SCHEMBL17385442

SCHEMBL17385442

CCOC(=O)c1nn(-c2cc(OC)cc(OC)c2)c2c1COc1cc(OC)c(Br)cc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CCNA1 P78396 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ PDE4D Q08499 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL17385323 0.92 ALDH1A1 (0.51) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL17381607 0.91 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL29538955 0.91 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL30885867 0.90 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL16377773 0.88 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL17381996 0.88 CCNA2 (0.46) CCNA2CDK2CCNA1ALDH1A1TP53
SCHEMBL16377789 0.84 TP53 (0.40) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL16377845 0.82 CCNA2 (0.38) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL17385521 0.81 L3MBTL1 (0.42) CCNA2CDK2CCNA1ALDH1A1NPSR1
SCHEMBL30885869 0.78 CCNA2 (0.39) CCNA2CDK2CCNA1ALDH1A1TP53

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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