SCHEMBL8044113

SCHEMBL8044113

Cn1nnc(Sc2nc3c(Cl)cccc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE10A Q9Y233 1/20 0.42
PSMB8 P28062 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.37
PANK3 Q9H999 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL8041887 0.84 HSP90AA1 (0.47) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8045244 0.84 F2RL3 (0.42) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8033176 0.84 HSP90AA1 (0.44) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8045061 0.84 F2RL3 (0.42) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8042634 0.83 HSP90AA1 (0.52) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8032982 0.80 RAB9A (0.40) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8042675 0.80 ALDH1A1 (0.51) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL8032818 0.79 HSP90AA1 (0.39) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8715876 0.79 F2RL3 (0.39) F2RL3HSP90AA1HSP90AB1MAPTLMNA
SCHEMBL8032825 0.79 HSP90AA1 (0.40) F2RL3HSP90AA1HSP90AB1MAPTLMNA

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