SCHEMBL9727333

SCHEMBL9727333

Nc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
NOS3 P29474 1/20 0.51
NOS2 P35228 1/20 0.51
MAOB P27338 4/20 0.47
SCN9A Q15858 3/20 0.45
FPR2 P25090 1/20 0.45
BACE1 P56817 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43

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
SCHEMBL16023879 0.84 RAB9A (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28748513 0.84 SCN9A (0.48) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL5646966 0.84 NPC1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL9338840 0.84 NPC1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15272369 0.84 NPC1 (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL31411241 0.83 NPC1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL19154982 0.83 NPC1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL30334561 0.83 MAPK1 (0.50) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL9223761 0.83 MAPK1 (0.50) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL21630346 0.81 NPC1 (0.54) RAB9ANPC1CASP3SENP8SENP7

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
US-5132314-A For administration to mammals, anthranilic acid derivatives CIBA-GEIGY CORPORATION (US) 1992-07-21 US claimed
US-5132314-A For administration to mammals, anthranilic acid derivatives CIBA-GEIGY CORPORATION (US) 1992-07-21 US disclosed
US-5081125-A Substituted anthranilic acid derivatives CIBA-GEIGY CORPORATION (US) 1992-01-14 US disclosed