SCHEMBL8046692

SCHEMBL8046692

Cn1cnnc1Sc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
ALOX12 P18054 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LTA4H P09960 1/20 0.40
HPGD P15428 1/20 0.39
CYP19A1 P11511 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8032536 0.86 RAB9A (0.56) ABL1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8050040 0.79 HTT (0.51) ABL1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8043006 0.79 RAB9A (0.43) ABL1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8043093 0.76 SMN1; SMN2 (0.38) ABL1SMN1; SMN2RAB9ALMNAPOLB
SCHEMBL8044780 0.76 RAB9A (0.41) ABL1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8048096 0.75 MAPT (0.55) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL8033890 0.75 RAB9A (0.46) ABL1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8044646 0.74 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL8044648 0.74 HSD17B10 (0.50) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL4047040 0.74 RAB9A (0.56) ABL1SMN1; SMN2RAB9ANPC1LMNA

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