SCHEMBL8033890

SCHEMBL8033890

Cn1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
AR P10275 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8042378 0.86 HTR1A (0.47) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL8048046 0.85 MAPT (0.47) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8044982 0.85 MAPT (0.44) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8050205 0.83 RAB9A (0.43) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8042670 0.83 RAB9A (0.43) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8044338 0.83 POLB (0.44) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8051792 0.79 AR (0.43) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL8046628 0.78 AR (0.40) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL8049804 0.78 KMT2A (0.43) RAB9AMAPTNPC1SMN1; SMN2MAPK1
SCHEMBL8043006 0.77 RAB9A (0.43) RAB9AMAPTNPC1SMN1; SMN2MAPK1

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