SCHEMBL8044452

SCHEMBL8044452

Cc1csc(Sc2nnn(Cc3ccccc3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 4/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL8042050 0.88 LMNA (0.42) RAB9AMEN1THRBKMT2ANPC1
SCHEMBL8032624 0.86 RAB9A (0.49) RAB9AL3MBTL1KMT2ANPC1ALDH1A1
SCHEMBL8043900 0.82 SMN1; SMN2 (0.36) RAB9AL3MBTL1MEN1KMT2ANPC1
SCHEMBL8051792 0.81 AR (0.43) RAB9AL3MBTL1KMT2ANPC1LMNA
SCHEMBL8044346 0.80 LMNA (0.41) RAB9AL3MBTL1NPC1ALDH1A1GAA
SCHEMBL8033941 0.79 SMN1; SMN2 (0.36) RAB9AL3MBTL1MEN1KMT2ANPC1
SCHEMBL8045945 0.78 RAB9A (0.46) RAB9AL3MBTL1NPC1GAADCUN1D1
SCHEMBL8042402 0.78 ALDH1A1 (0.40) RAB9AL3MBTL1MEN1THRBKMT2A
SCHEMBL8033189 0.77 RAB9A (0.38) RAB9AL3MBTL1MEN1THRBKMT2A
SCHEMBL8052354 0.77 L3MBTL1 (0.46) RAB9AL3MBTL1MEN1KMT2ANPC1

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