SCHEMBL11564653

SCHEMBL11564653

CC(C)Oc1ccc(NC(=O)C2(C)CC2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
ALDH1A1 P00352 6/20 0.49
TP53 P04637 5/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 7/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NLRP1 Q9C000 1/20 0.47
MCL1 Q07820 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
PNLIP P16233 1/20 0.45

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
SCHEMBL11435256 0.89 GLA (0.55) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11566480 0.87 GLA (0.54) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11565623 0.87 GLA (0.54) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11442328 0.85 GLA (0.51) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11564075 0.83 GLA (0.49) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11562240 0.82 GLA (0.44) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11566982 0.82 MAPT (0.50) ALDH1A1TP53KMT2ALMNAMEN1
SCHEMBL11447867 0.82 GLA (0.54) GLAALDH1A1TP53KMT2ALMNA
SCHEMBL11558201 0.81 RXFP1 (0.47) ALDH1A1TP53KMT2ALMNAMEN1
SCHEMBL11565438 0.80 TSHR (0.43) KMT2AMEN1TSHRPOLBABL1

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-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed