SCHEMBL23770671

SCHEMBL23770671

COc1ccc(Cl)c(-c2nc(NSc3cccc(N4CCCCC4)n3)ccc2C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 12/20 0.39
GALR1 P47211 4/20 0.39
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PHGDH O43175 1/20 0.35
CNR1 P21554 1/20 0.33
MAPK10 P53779 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19970017 0.86 HCRTR1 (0.35) CNR1MAPK10
SCHEMBL23770734 0.86 HCRTR1 (0.35) CNR1MAPK10
SCHEMBL23770661 0.82 HTR3A (0.39) CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL23770664 0.81 NPY5R (0.36) GALR2GALR1CNR2KDM4EHSD17B10
SCHEMBL23770826 0.80 S1PR1 (0.41) GALR2GALR1KDM4EL3MBTL1ALDH1A1
SCHEMBL23770433 0.80 PDE10A (0.36) GALR2GALR1CNR2KDM4EHSD17B10
SCHEMBL23770452 0.79 PDE10A (0.34) GALR2GALR1CNR2KDM4ETDP1
SCHEMBL23770694 0.79 GALR2 (0.40) GALR2GALR1CNR2KDM4EHSD17B10
SCHEMBL23770739 0.78 CNR2 (0.38) GALR2GALR1CNR2
SCHEMBL23770835 0.77 PTPN11 (0.34) CNR1MAPK10

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed