SCHEMBL19831089

SCHEMBL19831089

CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2n1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.42
MAPK8 P45983 5/20 0.42
USP14 P54578 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA7 P36544 2/20 0.41
MAPK9 P45984 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL19831032 0.90 MAPK1 (0.52) MAPK1ALDH1A1MAPK8USP14KDM4E
SCHEMBL19831035 0.87 MAPK8 (0.51) MAPK1ALDH1A1MAPK8SMN1; SMN2MAPK9
SCHEMBL19831212 0.86 MAPK8 (0.50) MAPK1ALDH1A1MAPK8USP14KMT2A
SCHEMBL19831040 0.84 MAPK8 (0.52) MAPK1ALDH1A1MAPK8USP14HPGD
SCHEMBL19831090 0.83 SMN1; SMN2 (0.46) MAPK8TSHRCASP1HSD17B10SMN1; SMN2
SCHEMBL19831072 0.81 MAPK1 (0.48) MAPK1ALDH1A1MAPK8USP14KDM4E
SCHEMBL19831051 0.76 PPARG (0.48) MAPK1ALDH1A1MAPK8KDM4ESMN1; SMN2
SCHEMBL19831091 0.75 ELANE (0.54) MAPK1ALDH1A1ALOX15HPGDKMT2A
SCHEMBL19831098 0.74 ELANE (0.45) MAPK1ALDH1A1MAPK8HPGDTSHR
SCHEMBL19831123 0.74 MMP2 (0.45) MAPK1ALDH1A1MAPK8KDM4ERAB9A

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-2018021762-A1 NOVEL COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 현대약품 주식회사 2018-02-01 WO disclosed