SCHEMBL8034019

SCHEMBL8034019

CN(C)CCCn1c(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)nnc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LRRK2 Q5S007 2/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
RAD52 P43351 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL8045082 0.88 MEN1 (0.45) HPGDLMNAKDM4ELRRK2DRD2
SCHEMBL8050800 0.87 HTR1A (0.49) HPGDLMNAKDM4EHTR1AHTR7
SCHEMBL8044119 0.85 PTGS2 (0.35) HPGDLMNAKDM4ELRRK2DRD2
SCHEMBL8033660 0.85 MAPT (0.44) HPGDLMNAKDM4EHTR1AHTR7
SCHEMBL8033982 0.84 KDM4E (0.50) KDM4ELRRK2DRD2MEN1KMT2A
SCHEMBL8046726 0.84 RAB9A (0.41) HPGDLMNAKDM4ELRRK2MEN1
SCHEMBL8048230 0.82 KDM4E (0.43) HPGDLMNAKDM4EMEN1KMT2A
SCHEMBL8043073 0.79 TSHR (0.42) HPGDKDM4ELRRK2MEN1KMT2A
SCHEMBL8043614 0.78 DCUN1D1 (0.41) HTR1AHTR7DRD2HTR2A
SCHEMBL8033827 0.78 TSHR (0.52) HPGDKDM4EMEN1KMT2AALDH1A1

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