SCHEMBL14802012

SCHEMBL14802012

COCCNC(=O)c1ccccc1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.63
HPGD P15428 6/20 0.54
ALDH1A1 P00352 5/20 0.53
ALOX15 P16050 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 3/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
STAT3 P40763 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGS2 P35354 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL6564878 0.86 HPGD (0.58) MAPK1HPGDALDH1A1TSHRHTT
SCHEMBL6903284 0.86 TSHR (0.58) HPGDALDH1A1TSHRHTTHSD17B10
SCHEMBL3205212 0.84 MAPK1 (0.47) MAPK1HPGDALDH1A1ALOX15GAA
SCHEMBL30223440 0.83 ALDH1A1 (0.68) MAPK1HPGDALDH1A1ALOX15GAA
SCHEMBL21780290 0.83 MAPK1 (0.51) MAPK1HPGDALDH1A1ALOX15GAA
SCHEMBL2546081 0.83 ALDH1A1 (0.68) MAPK1HPGDALDH1A1ALOX15GAA
SCHEMBL6564787 0.83 HPGD (0.56) MAPK1HPGDALDH1A1TSHRHTT
SCHEMBL6564965 0.83 HPGD (0.56) MAPK1HPGDALDH1A1TSHRHTT
SCHEMBL1063005 0.83 TSHR (0.66) HPGDALDH1A1GAATSHRHTT
SCHEMBL13161949 0.81 HPGD (0.65) MAPK1HPGDALDH1A1GAAHSD17B10

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
US-20130074864-A1 AIRBRUSH L'OREAL (FR) 2013-03-28 US disclosed