SCHEMBL8044690

SCHEMBL8044690

CC(C)n1nnc(Sc2nc3ccc(C(=O)O)cc3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MITF O75030 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
GFER P55789 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40

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
SCHEMBL8050070 0.85 NFKB1 (0.45) PPARANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8033149 0.85 PPARA (0.43) PPARANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8045375 0.85 NFKB1 (0.45) PPARANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8043224 0.81 SMN1; SMN2 (0.44) PPARANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8034311 0.80 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL8041797 0.80 SMN1; SMN2 (0.45) PPARANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8050844 0.80 ALDH1A1 (0.47) SMN1; SMN2KDM4ELMNANPC1RAB9A
SCHEMBL8043098 0.80 PDK1 (0.56) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL8052342 0.79 HCAR3 (0.43) PPARANFKB1NFKB2RELASMN1; SMN2
SCHEMBL8042101 0.79 HPGD (0.45) PPARANFKB1NFKB2RELASMN1; 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 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