SCHEMBL8044044

SCHEMBL8044044

COCCCn1c(Sc2nc3ccc(S(C)(=O)=O)cc3s2)nnc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 3/20 0.43
GLA P06280 2/20 0.43
RAB9A P51151 3/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CSNK1D P48730 1/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL8044738 0.88 CSNK1D (0.39) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8042112 0.88 CSNK1D (0.39) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8048102 0.86 MAPT (0.45) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL8046372 0.86 RAB9A (0.41) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL8041892 0.85 MEN1 (0.49) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL8047245 0.85 KDM4E (0.54) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL8044955 0.85 USP2 (0.48) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL8051920 0.80 TSHR (0.51) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL8051866 0.80 NPSR1 (0.46) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL8044858 0.79 TSHR (0.49) KMT2AMEN1TSHRKDM4EALDH1A1

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