SCHEMBL23770712

SCHEMBL23770712

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCN(CC(F)F)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL23770787 0.88 PDE10A (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23770621 0.87 PDE10A (0.35) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL23770464 0.85 LMNA (0.34) POLBKDM4EALDH1A1
SCHEMBL23770416 0.83 PTPN11 (0.37)
SCHEMBL23770448 0.83 CKS1B (0.40)
SCHEMBL23770649 0.81 PIM1 (0.34) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL23770480 0.81 GRIN2B (0.33)
SCHEMBL23770748 0.81 RORC (0.33)
SCHEMBL29464471 0.80 SCN1A (0.35) NPC1LPAR2MEN1POLBKMT2A
SCHEMBL19968839 0.80 SCN1A (0.35) NPC1LPAR2MEN1POLBKMT2A

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