SCHEMBL8045795

SCHEMBL8045795

c1ccc(CCc2nnc(Sc3nccs3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.39
F2 P00734 1/20 0.39
SRC P12931 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
PLA2G4A P47712 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
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
SCHEMBL8048610 0.87 ALDH1A1 (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8031756 0.80 FBP1 (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8032711 0.80 FBP1 (0.40) HSD17B10FBP1PDK1
SCHEMBL8043809 0.78 FBP1 (0.42) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL8032531 0.78 APEX1 (0.37) ALDH1A1SMN1; SMN2PLA2G4AFBP1PDK1
SCHEMBL8044890 0.77 ATM (0.47) ATMRAB9ANPC1MEN1KMT2A
SCHEMBL8043927 0.77 ATM (0.47) ATMRAB9ANPC1MEN1KMT2A
SCHEMBL8045096 0.77 PDPK1 (0.51) ATMNPC1MEN1KMT2APOLB
SCHEMBL8048705 0.76 FBP1 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8046775 0.76 FBP1 (0.42) ALDH1A1FBP1PDK1

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