SCHEMBL8048089

SCHEMBL8048089

CCCCn1nnnc1Sc1nc2c(Cl)cccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.57
HSP90AB1 P08238 7/20 0.57
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
PDE10A Q9Y233 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
UBE2M P61081 1/20 0.36

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
SCHEMBL8051988 0.93 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8050909 0.89 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8047839 0.89 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL8046039 0.89 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8034257 0.85 HSP90AA1 (0.45) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8033771 0.84 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8713974 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8051890 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8038020 0.82 P2RX7 (0.44) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL8032720 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A

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