SCHEMBL8042369

SCHEMBL8042369

O=C(O)c1ccc2nc(Sc3nnc(Cc4ccccc4)s3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
KDM4E B2RXH2 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL8034220 0.90 LMNA (0.51) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8044393 0.86 NFKB1 (0.47) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8038022 0.85 SMN1; SMN2 (0.46) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8043161 0.85 LMNA (0.46) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8042313 0.84 NFKB1 (0.45) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8050099 0.83 NFKB1 (0.44) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8033053 0.83 SMN1; SMN2 (0.44) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8046566 0.83 NPC1 (0.44) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8042518 0.83 KDM4E (0.66) LMNAKDM4ENFKB1NFKB2RELA
SCHEMBL8048312 0.82 SMN1; SMN2 (0.43) LMNAKDM4ENFKB1NFKB2RELA

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