SCHEMBL8042936

SCHEMBL8042936

Cc1csc(Sc2nnn(C(C)C)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
NOS1 P29475 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 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
SCHEMBL8043900 0.80 SMN1; SMN2 (0.36) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL8050096 0.80 RAB9A (0.37) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL8044448 0.79 RAB9A (0.32) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL8050205 0.77 RAB9A (0.43) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL8042264 0.76 ALDH1A1 (0.41) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL8043899 0.76 FBP1 (0.39)
SCHEMBL8045305 0.74 F2RL3 (0.35) MAPT
SCHEMBL8033941 0.74 SMN1; SMN2 (0.36) RAB9ANPC1POLBGAAALDH1A1
SCHEMBL8042945 0.72
SCHEMBL8050844 0.71 ALDH1A1 (0.47) RAB9ANPC1POLBGAAALDH1A1

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