SCHEMBL8043606

SCHEMBL8043606

CCCc1nnc(Sc2nc(C)cs2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL8044906 0.92 MEN1 (0.41) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8043474 0.87 MEN1 (0.53) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8050068 0.86 MEN1 (0.41) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8033099 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8044890 0.81 ATM (0.47) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8043002 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8046339 0.80 POLB (0.41) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8048226 0.78 MEN1 (0.45) MEN1KMT2ASMN1; SMN2GLATSHR
SCHEMBL8050659 0.77 RAB9A (0.48) MEN1KMT2ASMN1; SMN2TSHRRAB9A
SCHEMBL8032831 0.77 MEN1 (0.44) MEN1KMT2ASMN1; SMN2GLATSHR

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