SCHEMBL7547176

SCHEMBL7547176

OCc1nc2ccc(F)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.56
AXL P30530 1/20 0.56
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDPK1 O15530 1/20 0.49
DYRK1A Q13627 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
APP P05067 5/20 0.47
AKR1A1 P14550 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL1729400 0.82 GFER (0.61) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL8465212 0.82 GFER (0.56) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL7222770 0.82 GFER (0.56) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL6630285 0.82 NPC1 (0.63) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL5968511 0.79 GFER (0.57) GFERAXLALDH1A1MAPTKDM4E
SCHEMBL30513863 0.79 NPC1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL27038236 0.79 RAB9A (0.50) ALDH1A1MAPTMEN1KMT2ADYRK1A
SCHEMBL28672134 0.79 NPC1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17038162 0.79 RAB9A (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL18285786 0.78 GFER (0.51) GFERAXLALDH1A1MAPTKDM4E

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