SCHEMBL8041815

SCHEMBL8041815

Cn1c(Sc2ncc(Cl)s2)nnc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR9 Q9NR96 1/20 0.33
USP7 Q93009 1/20 0.31

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
SCHEMBL8043814 0.81 NPC1 (0.38) MEN1NPC1AGTR1RAB9AKMT2A
SCHEMBL8046253 0.79 TSHR (0.35) MEN1KMT2A
SCHEMBL8048372 0.79 MEN1 (0.33) MEN1NPC1AGTR1RAB9AKMT2A
SCHEMBL8034182 0.78 NPC1 (0.55) MEN1NPC1AGTR1RAB9AKMT2A
SCHEMBL8047257 0.74 FBP1 (0.39)
SCHEMBL8047637 0.72 LMNA (0.39) USP7
SCHEMBL8032709 0.72 HTT (0.41) MEN1KMT2A
SCHEMBL8051237 0.71 SMN1; SMN2 (0.30)
SCHEMBL8034370 0.71 MEN1 (0.37) MEN1NPC1RAB9AKMT2A
SCHEMBL8043566 0.70 HSP90AA1 (0.46) MEN1NPC1RAB9AKMT2A

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