SCHEMBL8045945

SCHEMBL8045945

c1ccc(Cn2nnc(Sc3nccs3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.39
CYP19A1 P11511 2/20 0.38
PDPK1 O15530 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDC7 O00311 1/20 0.37
FBP1 P09467 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P2RX7 Q99572 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
SCHEMBL8042933 0.87 DCUN1D1 (0.37) RAB9AL3MBTL1NPC1PDPK1SMN1; SMN2
SCHEMBL8050943 0.79 FBP1 (0.42) SMN1; SMN2FBP1DCUN1D1
SCHEMBL8032624 0.79 RAB9A (0.49) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL8044452 0.78 RAB9A (0.44) RAB9AL3MBTL1NPC1SMN1; SMN2GAA
SCHEMBL8033963 0.78 RAB9A (0.44) RAB9AL3MBTL1NPC1CYP19A1SMN1; SMN2
SCHEMBL8051281 0.77 MEN1 (0.39) FBP1MGAMGAASIMGAM2
SCHEMBL8033274 0.77 FBP1 (0.41) RAB9ANPC1SMN1; SMN2FBP1DCUN1D1
SCHEMBL8052354 0.75 L3MBTL1 (0.46) RAB9AL3MBTL1NPC1FBP1MGAM
SCHEMBL8051792 0.75 AR (0.43) RAB9AL3MBTL1NPC1SMN1; SMN2CYP1A2
SCHEMBL8044818 0.75 RAB9A (0.41) RAB9ANPC1CYP19A1SMN1; SMN2FBP1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed