SCHEMBL21808158

SCHEMBL21808158

CC(=Cc1ccccc1)c1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 1/20 0.44
GAA P10253 1/20 0.42
KDM1A O60341 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
FBP1 P09467 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
DHODH Q02127 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 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
SCHEMBL21808157 1.00 MAPT (0.49) MAPTALDH1A1TSHRAKR1C3GAA
SCHEMBL9013586 0.87 BRD4 (0.43) MAPTALDH1A1TSHRAKR1C3GAA
SCHEMBL7715071 0.85 TSHR (0.52) ALDH1A1TSHRAKR1C3KDM1ANISCH
SCHEMBL17967365 0.80 NFE2L2 (0.42) MAPTALDH1A1TSHRAKR1C3KDM1A
SCHEMBL17967366 0.80 NFE2L2 (0.42) MAPTALDH1A1TSHRAKR1C3KDM1A
SCHEMBL17967354 0.80 MAPT (0.43) MAPTALDH1A1TSHRAKR1C3KDM1A
SCHEMBL17967356 0.80 MAPT (0.43) MAPTALDH1A1TSHRAKR1C3KDM1A
SCHEMBL9013581 0.80 ALDH1A1 (0.41) MAPTALDH1A1TSHRGAAHSD17B10
SCHEMBL17967360 0.79 MAPT (0.53) MAPTALDH1A1TSHRAKR1C3KDM1A
SCHEMBL17967363 0.79 MAPT (0.53) MAPTALDH1A1TSHRAKR1C3KDM1A

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-2020060257-A1 HIGH-REFRACTIVE-INDEX COMPOSITION, HIGH-REFRACTIVE-INDEX FILM, AND METHOD FOR MANUFACTURING HIGH-REFRACTIVE-INDEX FILM 주식회사 엘지화학 2020-03-26 WO disclosed