SCHEMBL2941073

SCHEMBL2941073

Cc1ccccc1-c1c(N)c(F)c(F)c(N)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
ACHE P22303 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HBB P68871 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CD44 P16070 1/20 0.35
SENP8 Q96LD8 1/20 0.35
MYC P01106 1/20 0.35
CYP1A1 P04798 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
SCHEMBL31054315 0.78 HEXA (0.47) HEXAHEXBACHENPC1RAB9A
SCHEMBL4154665 0.76 ACHE (0.46) HEXAHEXBACHENPC1RAB9A
SCHEMBL1133067 0.73 MYC (0.56) HEXAHEXBACHENPC1RAB9A
SCHEMBL29512916 0.72 HEXA (0.43) HEXAHEXBACHENPC1RAB9A
SCHEMBL366602 0.72 HEXA (0.43) HEXAHEXBACHENPC1RAB9A
SCHEMBL6932597 0.72 ADORA2A (0.50) HEXAHEXBACHENPC1RAB9A
SCHEMBL8609589 0.71 HEXA (0.42) HEXAHEXBACHENPC1RAB9A
SCHEMBL3462071 0.71 CD44 (0.48) HEXAHEXBACHENPC1RAB9A
SCHEMBL30714451 0.71 CD44 (0.48) HEXAHEXBACHENPC1RAB9A
SCHEMBL9678804 0.70 CYP3A4 (0.54) HEXAHEXBACHENPC1RAB9A

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
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed