SCHEMBL8043002

SCHEMBL8043002

CCOC(=O)CCc1nnc(Sc2nc(C)cs2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8046042 0.88 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8047523 0.83 PARP1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8042395 0.82 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL8042404 0.82 MAPT (0.45) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8043606 0.80 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL8046634 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8043408 0.79 KMT2A (0.38) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8050068 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8044906 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL8032889 0.79 ALDH1A1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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