SCHEMBL7542888

SCHEMBL7542888

CCc1cc(OCc2nc3cc(C(F)(F)F)ccc3s2)ccc1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
ALOX5 P09917 7/20 0.45
EPHX2 P34913 7/20 0.45
ALOX5AP P20292 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1B1 P15121 4/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
NCS1 P62166 1/20 0.41
PPARD Q03181 1/20 0.41
AKR1A1 P14550 1/20 0.40

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
SCHEMBL7541581 0.90 ALOX5 (0.57) DYRK1AALOX5EPHX2ALOX5APAKR1B1
SCHEMBL7543772 0.89 DYRK1A (0.53) DYRK1AALOX5EPHX2ALOX5APCYP1A2
SCHEMBL7542041 0.87 DYRK1A (0.51) DYRK1AALOX5EPHX2ALOX5APMEN1
SCHEMBL7542633 0.86 ALOX5 (0.50) DYRK1AALOX5EPHX2ALOX5APMEN1
SCHEMBL7543706 0.86 DYRK1A (0.56) DYRK1AALOX5EPHX2ALOX5APCYP1A2
SCHEMBL7548540 0.85 EPHX2 (0.53) DYRK1AALOX5EPHX2ALOX5APMEN1
SCHEMBL7548708 0.85 DYRK1A (0.58) DYRK1AALOX5EPHX2AKR1B1MEN1
SCHEMBL7541047 0.84 ALOX5 (0.46) ALOX5EPHX2ALOX5APMEN1NPC1
SCHEMBL7542457 0.84 ALOX5 (0.62) ALOX5EPHX2ALOX5APCYP1A2CYP2C19
SCHEMBL7541020 0.82 DYRK1A (0.54) DYRK1AALOX5EPHX2CYP1A2CYP2C9

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 3 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
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed