SCHEMBL7998396

SCHEMBL7998396

COc1ccc(C(C)C(=O)Nc2snc(C)c2Cl)cc1.Cc1nsc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RIOK2 Q9BVS4 4/20 0.39
GSK3A P49840 2/20 0.39
MAPK10 P53779 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL5734469 0.93 RAB9A (0.43) RAB9AMEN1KMT2ARIOK2GSK3A
SCHEMBL5736347 0.81 MAPT (0.44) RAB9AMEN1KMT2ANPC1MAPT
Bromide SCHEMBL8001925 0.78 MAPT (0.42) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL8001928 0.77 MAPT (0.41) RAB9AMEN1KMT2APSEN1PSEN2
SCHEMBL7994622 0.69 FFAR2 (0.32) FFAR2ALDH1A1
SCHEMBL14629743 0.69 RAB9A (0.59) RAB9AMEN1KMT2ACA12CA1
SCHEMBL5741082 0.66 GPR88 (0.55) RAB9AMEN1KMT2ACA1CA2
SCHEMBL5734992 0.66 GAA (0.34) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL27063852 0.66 SMN1; SMN2 (0.63) RAB9AMEN1KMT2ACA12CA1
SCHEMBL7795343 0.65 KLK7 (0.67) RAB9AMEN1KMT2ANPC1GPR88

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-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed