SCHEMBL21186016

SCHEMBL21186016

Nc1nc2ccc(Oc3ccc(Cl)cc3F)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 2/20 0.52
SCN4A P35499 2/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
SCN9A Q15858 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL21186019 0.87 AXL (0.63) RAB9ANPC1TP53MAPTHTT
SCHEMBL9722834 0.87 RAB9A (0.58) RAB9ANPC1TP53MAPTHTT
SCHEMBL21186021 0.84 RAB9A (0.58) RAB9ANPC1TP53MAPTHTT
SCHEMBL21186270 0.83 RAB9A (0.68) RAB9ANPC1TP53MAPTHTT
SCHEMBL7285119 0.82 RAB9A (0.75) RAB9ANPC1TP53MAPTHTT
SCHEMBL21186391 0.82 AXL (0.60) RAB9ANPC1TP53MAPTHTT
SCHEMBL21186020 0.82 GFER (0.63) RAB9ANPC1TP53MAPTHTT
SCHEMBL20568080 0.79 RAB9A (0.84) RAB9ANPC1TP53MAPTHTT
SCHEMBL21185997 0.79 RAB9A (0.74) RAB9ANPC1TP53MAPTHTT
SCHEMBL21186245 0.78 RAB9A (0.68) RAB9ANPC1TP53MAPTHTT

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed