SCHEMBL11076902

SCHEMBL11076902

C=CC(C)n1c(-c2ccc(OC)cc2)nc2c3ccccc3ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
TP53 P04637 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39

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
Tomoxiprole SCHEMBL525023 0.87 MAPK9 (0.50) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11085482 0.84 MAPK9 (0.47) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11078304 0.83 MAPK9 (0.47) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11024220 0.82 MAPK9 (0.50) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
Tomoxiprole SCHEMBL6937880 0.79 MAPK9 (0.43) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11089329 0.78 KDM4E (0.65) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11073129 0.78 PARP1 (0.55) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11078399 0.78 MAPK9 (0.48) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11078944 0.75 MAPK9 (0.50) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11079618 0.75 GRIK2 (0.52) MAPK9MAPK14ALDH1A1SMN1; SMN2KDM4E

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-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed