SCHEMBL8043161

SCHEMBL8043161

CCc1nnc(Sc2nc3ccc(C(=O)O)cc3s2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 5/20 0.43
MITF O75030 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 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
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 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
SCHEMBL8033053 0.91 SMN1; SMN2 (0.44) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8048312 0.90 SMN1; SMN2 (0.43) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8044393 0.89 NFKB1 (0.47) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8038022 0.88 SMN1; SMN2 (0.46) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8045054 0.87 LMNA (0.43) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8042313 0.87 NFKB1 (0.45) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8050099 0.86 NFKB1 (0.44) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8046566 0.86 NPC1 (0.44) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8048634 0.86 MAPT (0.47) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL8042369 0.85 LMNA (0.52) LMNASMN1; SMN2KDM4ENFKB1NFKB2

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