SCHEMBL17804319

SCHEMBL17804319

CCCC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
FBP1 P09467 1/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
GPR35 Q9HC97 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VCAM1 P19320 3/20 0.37
DHODH Q02127 1/20 0.36
TTR P02766 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
SCHEMBL17804346 0.87 DHODH (0.44) L3MBTL1FBP1HPGDALDH1A1TSHR
SCHEMBL2080107 0.82 ALDH1A1 (0.52) L3MBTL1HPGDALDH1A1TSHRTDP1
SCHEMBL18830361 0.79 GPR35 (0.46) HPGDALDH1A1TSHRGPR35ALOX15
SCHEMBL9988172 0.78 ALDH1A1 (0.52) L3MBTL1HPGDALDH1A1TDP1SMN1; SMN2
SCHEMBL31413031 0.77 GPR35 (0.47) HPGDALDH1A1TSHRGPR35ALOX15
SCHEMBL1494608 0.77 CYP3A4 (0.52) FBP1HPGDALDH1A1TSHRGPR35
SCHEMBL7902277 0.77 GPR35 (0.47) HPGDALDH1A1TSHRGPR35ALOX15
SCHEMBL11271485 0.77 VCAM1 (0.44) L3MBTL1HPGDALDH1A1TSHRALOX15
SCHEMBL11318804 0.76 ESR1 (0.48) GPR35TDP1TTR
SCHEMBL6121980 0.76 ALDH1A1 (0.47) HPGDALDH1A1TSHRGPR35ALOX15

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