SCHEMBL8043767

SCHEMBL8043767

COCCCn1c(Sc2nc(-c3ccccc3)cs2)nnc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
GAA P10253 4/20 0.49
GLA P06280 3/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL8033836 0.92 TSHR (0.47) KDM4EGAAGLAHTTTSHR
SCHEMBL8045082 0.87 MEN1 (0.45) KDM4EGAAGLAHTTTSHR
SCHEMBL8043590 0.87 KDM4E (0.53) KDM4EGAAGLAHTTTSHR
SCHEMBL8050800 0.86 HTR1A (0.49) KDM4EGAAHTTTSHRKMT2A
SCHEMBL8041907 0.84 RAB9A (0.47) KDM4EGAAHTTTSHRMEN1
SCHEMBL8050920 0.83 RAB9A (0.39) KDM4EGAAHTTTSHRMEN1
SCHEMBL8047245 0.82 KDM4E (0.54) KDM4EGAAGLAHTTTSHR
SCHEMBL8048106 0.82 KDM4E (0.56) KDM4EGAATSHRMEN1KMT2A
SCHEMBL8047188 0.82 MEN1 (0.53) KDM4EGAAGLAHTTTSHR
SCHEMBL8045928 0.81 TSHR (0.52) KDM4EGAAGLAHTTTSHR

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