SCHEMBL8045797

SCHEMBL8045797

CCCc1nnc(Sc2nc3c(Cl)cccc3s2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LMNA P02545 4/20 0.41
PDE10A Q9Y233 1/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSMB8 P28062 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
F2RL3 Q96RI0 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8041694 0.94 HSP90AA1 (0.49) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8047450 0.90 HSP90AA1 (0.44) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8048304 0.88 LMNA (0.41) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8047224 0.85 ATM (0.45) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8042070 0.85 LMNA (0.43) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8032726 0.84 LMNA (0.40) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8051893 0.83 HDAC6 (0.39) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8048506 0.83 GAA (0.40) HSP90AA1HSP90AB1LMNAGAAMAPT
SCHEMBL8052229 0.81 ALDH1A1 (0.43) HSP90AA1HSP90AB1LMNAPDE10AGAA
SCHEMBL8032357 0.81 AKR1B1 (0.44) HSP90AA1HSP90AB1LMNAPDE10AGAA

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