SCHEMBL7740050

SCHEMBL7740050

COc1ccc(Oc2c[c]c(F)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AHR P35869 1/20 0.37
LTA4H P09960 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7740084 0.86 MAPT (0.42) RAB9AL3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL7740190 0.84 MEN1 (0.41) LTA4HNPBWR1MCHR1MEN1KMT2A
SCHEMBL718547 0.81 NPC1 (0.41) RAB9AL3MBTL1MAPTNPC1SMN1; SMN2
SCHEMBL7740056 0.79 L3MBTL1 (0.42) RAB9AL3MBTL1CA12CA1CA2
SCHEMBL7744905 0.77 POLB (0.53) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL7745226 0.77 GSTP1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7740125 0.74 GAA (0.46) L3MBTL1MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL7740258 0.74 STK39 (0.44) RAB9A
SCHEMBL9632200 0.71 RAB9A (0.48) RAB9AL3MBTL1LTA4HHTTMAPT
SCHEMBL16068845 0.71 RAB9A (0.38) RAB9AL3MBTL1LTA4HCA12CA1

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
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed