SCHEMBL8042798

SCHEMBL8042798

Clc1cccc2sc(Sc3nnc(-c4ccccc4)s3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 3/20 0.43
PDE10A Q9Y233 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMB8 P28062 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL8048241 0.81 ALDH1A1 (0.43) ALDH1A1ATMLMNAPDE10AHPGD
SCHEMBL8052229 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPDE10AHPGDKMT2A
SCHEMBL8034052 0.81 LMNA (0.59) ALDH1A1ATMLMNAPDE10AHPGD
SCHEMBL8047224 0.80 ATM (0.45) ALDH1A1ATMLMNAPDE10AHPGD
SCHEMBL8043293 0.80 LMNA (0.46) ALDH1A1LMNAPDE10AHPGDKMT2A
SCHEMBL8048725 0.79 ALDH1A1 (0.53) ALDH1A1ATMLMNAHDAC6HPGD
SCHEMBL2135948 0.77 LMNA (0.56) ALDH1A1LMNAPDE10AHPGDKMT2A
SCHEMBL8034036 0.76 PSMB8 (0.47) ALDH1A1LMNAPDE10AHPGDKMT2A
SCHEMBL8052231 0.76 LMNA (0.43) ALDH1A1LMNAPDE10AHPGDKMT2A
SCHEMBL8042070 0.76 LMNA (0.43) ALDH1A1LMNAPDE10AHPGDKMT2A

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