SCHEMBL21186245

SCHEMBL21186245

Nc1nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 3/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 2/20 0.68
CYP3A4 P08684 5/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 3/20 0.56
SCN4A P35499 3/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 2/20 0.56
TSHR P16473 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL7285119 0.89 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL20568080 0.89 RAB9A (0.84) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21185997 0.88 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186401 0.86 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186247 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7285684 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31114535 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186211 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL14397008 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL21186021 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53MAPT

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