SCHEMBL23770686

SCHEMBL23770686

FC(F)(F)c1ccc(NSc2cccc(N3CCCCC3)n2)nc1-c1ccccc1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.35
CNR2 P34972 2/20 0.33
HSD11B1 P28845 4/20 0.33
PDE10A Q9Y233 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL23770628 0.88 CYP1A2 (0.42) RBP4CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL23770665 0.87 TLR7 (0.36) KDM4EALDH1A1HSD17B10SYK
SCHEMBL19970126 0.87 IDH2 (0.39) RBP4HSD11B1SYK
SCHEMBL19970141 0.87 IDH2 (0.39) RBP4HSD11B1SYK
SCHEMBL23770456 0.87 IDH2 (0.39) RBP4HSD11B1SYK
SCHEMBL23770801 0.86 GPBAR1 (0.33) RBP4HSD11B1
SCHEMBL23770664 0.86 NPY5R (0.36) CNR2PDE10ACYP1A2CYP2C9KDM4E
SCHEMBL23770597 0.86 RBP4 (0.33) RBP4TRPA1SYK
SCHEMBL23770810 0.85 MPL (0.32) RBP4PDE10ATRPA1
SCHEMBL23770433 0.85 PDE10A (0.36) CNR2PDE10ACYP1A2CYP2C9KDM4E

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