SCHEMBL8050205

SCHEMBL8050205

CC(C)n1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
ALOX12 P18054 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8046620 0.87 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8048046 0.85 MAPT (0.47) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8033890 0.83 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8042670 0.82 RAB9A (0.43) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8044982 0.79 MAPT (0.44) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8045305 0.77 F2RL3 (0.35) MAPTAR
SCHEMBL8044338 0.77 POLB (0.44) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8042936 0.77 RAB9A (0.32) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL8050628 0.77 RAB9A (0.41) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8051792 0.76 AR (0.43) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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