SCHEMBL8137259

SCHEMBL8137259

Cc1nc(Cn2c(NC3CCN(CCc4c(C)nc5sccn5c4=O)CC3)nc3ccccc32)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 3/20 0.45
CYP2D6 P10635 3/20 0.45
MAPT P10636 3/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
DGKA P23743 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 15/20 0.45
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
DRD2 P14416 2/20 0.44

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
SCHEMBL8121575 0.78 SSTR5 (0.49) SSTR5LMNATP53CYP2D6MAPT
SCHEMBL9741257 0.75 SSTR5 (0.63) SSTR5LMNATP53CYP2D6MAPT
SCHEMBL9740810 0.75 HTR1A (0.48) SSTR5LMNATP53CYP2D6MAPT
SCHEMBL9592694 0.75 HTR1A (0.42) SSTR5LMNATP53CYP2D6MAPT
Water SCHEMBL9564898 0.75 ALDH1A1 (0.42) LMNATP53CYP2D6MAPTCYP2C19
Water SCHEMBL9564895 0.75 ALDH1A1 (0.42) LMNATP53CYP2D6MAPTCYP2C19
SCHEMBL9629645 0.74 HTR1A (0.40) SSTR5LMNATP53CYP2D6MAPT
SCHEMBL8132057 0.74 KDM4E (0.52) SSTR5LMNAMAPTALDH1A1TSHR
SCHEMBL7147314 0.74 CYP2D6 (0.54) LMNATP53CYP2D6MAPTCYP2C19
SCHEMBL7699102 0.73 DRD2 (0.54) LMNATP53CYP2D6MAPTCYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539420-B1 SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-01-05 EP disclosed
US-5360807-A Substituted thiazolyl and substituted pyridinyl derivatives JANSSEN PHARMACEUTICA N.V. (BF) 1994-11-01 US disclosed
EP-0539420-A1 NOVEL SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed
WO-1992001697-A1 NOVEL SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed