SCHEMBL7550252

SCHEMBL7550252

CCC(Oc1ccc(NC(C)=O)c(C)c1)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.50
▸ EPHX2 P34913 6/20 0.50
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 5/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALOX5AP P20292 1/20 0.46
▸ ADORA1 P30542 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ENPP1 P22413 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7544243 0.86 RAB9A (0.64) ALOX5EPHX2TP53MAPTRXFP1
SCHEMBL7550290 0.85 RAB9A (0.53) ALOX5EPHX2MAPTRAB9AADORA1
SCHEMBL7574398 0.84 RAB9A (0.50) ALOX5EPHX2TP53MAPTRXFP1
SCHEMBL7545137 0.80 RAB9A (0.45) ALOX5EPHX2TP53MAPTRAB9A
SCHEMBL7541316 0.78 ALOX5 (0.78) ALOX5EPHX2MAPTRAB9AALOX5AP
SCHEMBL7550188 0.78 RAB9A (0.60) ALOX5EPHX2TP53MAPTRXFP1
SCHEMBL8670328 0.71 RAB9A (0.41) ALOX5EPHX2TP53MAPTRXFP1
SCHEMBL7543912 0.70 RAB9A (0.72) TP53MAPTRAB9AADORA1DYRK1A
SCHEMBL27363078 0.70 RAB9A (0.55) ALOX5EPHX2TP53MAPTRAB9A
SCHEMBL7541209 0.69 ALOX5 (0.54) ALOX5EPHX2TP53MAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 — — EP disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 — — EP disclosed
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