SCHEMBL6039754

SCHEMBL6039754

CC(N[C]=O)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CHEK1 O14757 1/20 0.39
KDR P35968 1/20 0.39
CASR P41180 2/20 0.39
FLT3 P36888 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
PIK3CA P42336 1/20 0.38
GAA P10253 1/20 0.38
AOC3 Q16853 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL417541 0.80 ALOX5 (0.49) ALOX5BRD4KDM4ELMNATP53
SCHEMBL831428 0.78 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53
SCHEMBL3663172 0.75 ALOX5 (0.55) ALOX5BRD4KDM4ELMNATP53
SCHEMBL4985929 0.75 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL30733359 0.75 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL336690 0.75 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL9206908 0.74 ALOX5 (0.48) ALOX5BRD4KDM4ELMNATP53
SCHEMBL3229357 0.72 ALOX5 (0.55) ALOX5BRD4KDM4ELMNATP53
SCHEMBL19981811 0.72 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53
SCHEMBL1706542 0.72 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53

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-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed