SCHEMBL8034036

SCHEMBL8034036

CC(C)(C)c1nnc(Sc2nc3c(Cl)cccc3s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.47
LMNA P02545 4/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
F2RL3 Q96RI0 3/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.32
HTT P42858 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
SCHEMBL8043293 0.82 LMNA (0.46) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8034052 0.81 LMNA (0.59) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8047450 0.79 HSP90AA1 (0.44) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8052231 0.79 LMNA (0.43) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8048453 0.78 ALDH1A1 (0.51) LMNAMAPTALDH1A1HPGDGAA
SCHEMBL8045797 0.77 HSP90AA1 (0.45) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL10219889 0.77 LMNA (0.56) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8042070 0.76 LMNA (0.43) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8042798 0.76 ALDH1A1 (0.45) PSMB8LMNAPDE10AMAPTALDH1A1
SCHEMBL8041694 0.76 HSP90AA1 (0.49) PSMB8LMNAPDE10AMAPTALDH1A1

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