SCHEMBL8043474

SCHEMBL8043474

CCc1nnc(Sc2nc(C)cs2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33

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
SCHEMBL8043606 0.87 MEN1 (0.42) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8044906 0.86 MEN1 (0.41) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8033099 0.85 MEN1 (0.43) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8046339 0.83 POLB (0.41) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8050068 0.83 MEN1 (0.41) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8048226 0.80 MEN1 (0.45) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8032831 0.79 MEN1 (0.44) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8044299 0.79 ALDH1A1 (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8046042 0.79 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8043894 0.79 GAA (0.49) SMN1; SMN2RAB9ANPC1MAPTGLA

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