SCHEMBL8042313

SCHEMBL8042313

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
MITF O75030 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL8044393 0.91 NFKB1 (0.47) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8050099 0.90 NFKB1 (0.44) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8033053 0.90 SMN1; SMN2 (0.44) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8048312 0.89 SMN1; SMN2 (0.43) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8034220 0.88 LMNA (0.51) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8043161 0.87 LMNA (0.46) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8038022 0.87 SMN1; SMN2 (0.46) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8046566 0.85 NPC1 (0.44) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8042369 0.84 LMNA (0.52) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL8045054 0.84 LMNA (0.43) NFKB1NFKB2RELAKDM4ESMN1; SMN2

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