SCHEMBL17804346

SCHEMBL17804346

CCCC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.40
FBP1 P09467 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL17804319 0.87 L3MBTL1 (0.41) DHODHL3MBTL1HPGDFBP1TSHR
SCHEMBL17804328 0.82 CYP1A2 (0.41) TCF4CTNNB1L3MBTL1HPGDFBP1
SCHEMBL2080107 0.81 ALDH1A1 (0.52) L3MBTL1HPGDTSHRALDH1A1TDP1
SCHEMBL13468191 0.80 DHODH (0.52) DHODHHPGDTSHRALDH1A1
SCHEMBL27183608 0.80 DHODH (0.49) DHODHHPGDTSHRALDH1A1TDP1
SCHEMBL31636358 0.80 TSHR (0.56) DHODHL3MBTL1HPGDFBP1TSHR
SCHEMBL2049036 0.80 TSHR (0.56) DHODHL3MBTL1HPGDFBP1TSHR
SCHEMBL2043408 0.77 MEN1 (0.50) DHODHHPGDTDP1SMN1; SMN2
SCHEMBL11220359 0.77 VCAM1 (0.43) L3MBTL1HPGDALDH1A1RECQLSMN1; SMN2
SCHEMBL15870998 0.76 HPGD (0.53) TCF4CTNNB1HPGDTSHRALDH1A1

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
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed