SCHEMBL8044738

SCHEMBL8044738

CN(C)CCCn1c(Sc2nc3ccc(S(C)(=O)=O)cc3s2)nnc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 3/20 0.38
ESR1 P03372 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
SCD O00767 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ILK Q13418 1/20 0.35
HPGD P15428 2/20 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
SCHEMBL8042112 0.88 CSNK1D (0.39) CSNK1DKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8044044 0.88 KMT2A (0.45) CSNK1DKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8043389 0.86 PDK1 (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1USP2
SCHEMBL8046372 0.86 RAB9A (0.41) CSNK1DKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8034281 0.85 KMT2A (0.40) KMT2ASMN1; SMN2MEN1ALDH1A1USP2
SCHEMBL8043400 0.85 ALDH1A1 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1USP2
SCHEMBL8044955 0.85 USP2 (0.48) CSNK1DKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8051920 0.80 TSHR (0.51) CSNK1DKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8044199 0.80 TSHR (0.41) CSNK1DKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8045950 0.79 MEN1 (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A

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