SCHEMBL7574398

SCHEMBL7574398

CC(=O)Nc1ccc(OC(c2nc3ccccc3s2)C(C)C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ TP53 P04637 2/20 0.49
▸ ALOX5 P09917 6/20 0.48
▸ EPHX2 P34913 6/20 0.48
▸ ADORA1 P30542 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALOX5AP P20292 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NFKB1 P19838 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 0.89 RAB9A (0.64) RAB9ATP53ALOX5EPHX2ADORA1
SCHEMBL7541469 0.85 RAB9A (0.57) RAB9ATP53ALOX5EPHX2ADORA1
SCHEMBL7550252 0.84 ALOX5 (0.50) RAB9ATP53ALOX5EPHX2ADORA1
SCHEMBL7550188 0.81 RAB9A (0.60) RAB9ATP53ALOX5EPHX2MAPT
SCHEMBL7541316 0.77 ALOX5 (0.78) RAB9AALOX5EPHX2KDM4EMAPT
SCHEMBL7543912 0.73 RAB9A (0.72) RAB9ATP53ADORA1DYRK1AKDM4E
SCHEMBL27363078 0.70 RAB9A (0.55) RAB9ATP53ALOX5EPHX2ADORA1
SCHEMBL7550290 0.69 RAB9A (0.53) RAB9AALOX5EPHX2ADORA1DYRK1A
SCHEMBL7541610 0.69 ALOX5 (0.71) RAB9AALOX5EPHX2KDM4EMAPT
SCHEMBL7541209 0.68 ALOX5 (0.54) RAB9ATP53ALOX5EPHX2ADORA1

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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