SCHEMBL23770593

SCHEMBL23770593

Cc1c(F)cccc1-c1nc(NSc2cccc(N3CCN(C(C)(C)C)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33
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
NPC1 O15118 1/20 0.31
PDE10A Q9Y233 1/20 0.30
HSD11B1 P28845 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
SCHEMBL23770694 0.90 GALR2 (0.40) GALR2GALR1KDM4EALDH1A1CYP1A2
SCHEMBL23770453 0.89 CYP1A2 (0.40) GALR2GALR1KDM4EALDH1A1CYP1A2
SCHEMBL23770836 0.85 MPL (0.33)
SCHEMBL23770471 0.84 SOS1 (0.34)
SCHEMBL23770867 0.84 PTPN11 (0.31) GALR2GALR1
SCHEMBL23770765 0.82 S1PR1 (0.35) GALR2GALR1ALDH1A1CYP1A2CYP3A4
SCHEMBL29464417 0.81 SCN9A (0.36) GALR2GALR1KDM4EALDH1A1CYP1A2
SCHEMBL19925203 0.81 SCN9A (0.36) GALR2GALR1KDM4EALDH1A1CYP1A2
SCHEMBL23770859 0.80 CYP1A2 (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23770739 0.80 CNR2 (0.38) GALR2GALR1PDE10A

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