SCHEMBL8046514

SCHEMBL8046514

CCc1ccccc1-n1nnc(Sc2nc3ccc(C(=O)O)cc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 5/20 0.40
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MITF O75030 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 3/20 0.37
GFER P55789 2/20 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
SCHEMBL8048729 0.86 ELANE (0.47) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8045225 0.84 KMT2A (0.46) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8043966 0.83 MAPT (0.52) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8045375 0.83 NFKB1 (0.45) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8044143 0.82 ALDH1A1 (0.45) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8050070 0.81 NFKB1 (0.45) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8043224 0.81 SMN1; SMN2 (0.44) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8041984 0.80 SMN1; SMN2 (0.51) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8052342 0.79 HCAR3 (0.43) LMNANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8033149 0.79 PPARA (0.43) LMNANFKB1NFKB2RELASMN1; 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