SCHEMBL8043988

SCHEMBL8043988

Cc1csc(Sc2nnc(CCC(=O)O)s2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
APEX1 P27695 1/20 0.36
FFAR1 O14842 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8048226 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8710461 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8043002 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8050068 0.83 MEN1 (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8050236 0.83 HSD17B10 (0.43) ALDH1A1LMNASMN1; SMN2HDAC6RAB9A
SCHEMBL8043606 0.81 MEN1 (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8044906 0.80 MEN1 (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8033099 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8051288 0.80 RAB9A (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8032831 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1LMNASMN1; 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