SCHEMBL8044774

SCHEMBL8044774

CN(C)CCCn1c(Sc2nccs2)nnc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HTR7 P34969 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
MIF P14174 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 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
SCHEMBL8048230 0.85 KDM4E (0.43) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8045928 0.85 TSHR (0.52) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8051653 0.83 TSHR (0.41) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8044904 0.81 TSHR (0.41) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8050300 0.81 KDM4E (0.40) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8043400 0.81 ALDH1A1 (0.53) KDM4EHTR7NPC1RAB9ATSHR
SCHEMBL8050800 0.81 HTR1A (0.49) KDM4EHTR7NPC1RAB9ATSHR
SCHEMBL8045950 0.80 MEN1 (0.38) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8046882 0.80 RECQL (0.41) KDM4ENPC1RAB9ATSHRMEN1
SCHEMBL8042512 0.80 RAB9A (0.50) KDM4ENPC1RAB9ATSHRMEN1

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