SCHEMBL19831072

SCHEMBL19831072

CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2)c2ccc(Br)cc2n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPT P10636 4/20 0.47
ATM Q13315 1/20 0.47
USP14 P54578 2/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAT2A P31153 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 1/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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 0.91 MAPK1 (0.52) MAPK1USP14HPGDALDH1A1HTT
SCHEMBL19831035 0.85 MAPK8 (0.51) MAPK1MAPTALDH1A1SMN1; SMN2MAT2A
SCHEMBL19831040 0.85 MAPK8 (0.52) MAPK1MAPTUSP14HPGDALDH1A1
SCHEMBL19831071 0.83 SRD5A2 (0.41) MAPTUSP14NPSR1MAPK8ALOX15
SCHEMBL19831104 0.83 MAPT (0.47) MAPK1MAPTHTTKDM4ENPSR1
SCHEMBL19831212 0.82 MAPK8 (0.50) MAPK1USP14ALDH1A1LMNAKMT2A
SCHEMBL19831089 0.81 MAPK1 (0.50) MAPK1MAPTUSP14HPGDALDH1A1
SCHEMBL19831051 0.79 PPARG (0.48) MAPK1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL19831123 0.79 MMP2 (0.45) MAPK1ALDH1A1KDM4EELANENPC1
SCHEMBL19831091 0.78 ELANE (0.54) MAPK1MAPTHPGDALDH1A1LMNA

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