SCHEMBL8042630

SCHEMBL8042630

CC(C)(C)c1nnc(Sc2ncc(Cl)s2)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK8 P45983 3/20 0.33
MAPK9 P45984 3/20 0.33
MAPK10 P53779 1/20 0.33
NPC1 O15118 1/20 0.31
USP7 Q93009 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8042669 0.76 RXRA (0.43) RAB9AALDH1A1MAPK8MAPK9MAPK10
SCHEMBL8033463 0.75 MAPK8 (0.64) RAB9AALDH1A1MAPK8MAPK9MAPK10
SCHEMBL8042105 0.75 MAPK8 (0.56) ALDH1A1MAPK8MAPK9MAPK10MEN1
SCHEMBL13141426 0.74 SLC6A3 (0.35) RAB9AALDH1A1
SCHEMBL8043915 0.74 MAPK8 (0.37) RAB9AALDH1A1MAPK8MAPK9MAPK10
SCHEMBL8034033 0.74 ALDH1A1 (0.36) RAB9AALDH1A1MAPK8MAPK9MAPK10
SCHEMBL8044127 0.72 FBP1 (0.42) RAB9ANPC1
SCHEMBL8043004 0.72 MAPK8 (0.39) RAB9AALDH1A1MAPK8MAPK9MAPK10
SCHEMBL8043957 0.71 MAPK8 (0.33) MAPK8MAPK9MAPK10USP7
SCHEMBL8051775 0.71 POLB (0.40) RAB9AALDH1A1MAPK8MAPK9MAPK10

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