SCHEMBL8041887

SCHEMBL8041887

CCCn1nnc(Sc2nc3c(Cl)cccc3s2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 4/20 0.47
F2RL3 Q96RI0 3/20 0.40
LMNA P02545 3/20 0.38
PDE10A Q9Y233 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMB8 P28062 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL8042634 0.93 HSP90AA1 (0.52) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8033176 0.91 HSP90AA1 (0.44) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8032818 0.86 HSP90AA1 (0.39) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8044113 0.84 F2RL3 (0.44) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8032982 0.84 RAB9A (0.40) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8711423 0.82 GAA (0.37) HSP90AA1HSP90AB1F2RL3LMNARAB9A
SCHEMBL8042769 0.82 AKR1B1 (0.40) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8045191 0.82 FBP1 (0.48) HSP90AA1HSP90AB1LMNARAB9ANPC1
SCHEMBL8045061 0.79 F2RL3 (0.42) HSP90AA1HSP90AB1F2RL3LMNAPDE10A
SCHEMBL8045244 0.79 F2RL3 (0.42) HSP90AA1HSP90AB1F2RL3LMNAPDE10A

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed