SCHEMBL23770707

SCHEMBL23770707

Cc1ccc(C(F)(F)F)cc1-c1nc(NSc2cccc(N)n2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.39
PDE2A O00408 4/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CCR2 P41597 1/20 0.32
CCR5 P51681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 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
SCHEMBL23770561 0.92 IL2 (0.34) AGPAT2PDE2AMAPTMCL1IL2
SCHEMBL23770558 0.87 AGPAT2 (0.40) AGPAT2ABL1MAPK14
SCHEMBL23770590 0.84 ADORA2A (0.35) BACE1LMNA
SCHEMBL23770627 0.83 ADORA2A (0.40) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL23770626 0.83 TRPV1 (0.35) AGPAT2GABRPGABRDGABRA1GABRB1
SCHEMBL23770740 0.82 HSD11B1 (0.33) ABL1
SCHEMBL23770542 0.82 MPL (0.34) BACE1NOTUM
SCHEMBL23770715 0.81 AGPAT2 (0.34) AGPAT2ABL1MAPK14
SCHEMBL23770732 0.81 NOS3 (0.38) AGPAT2PDE2AABL1IL2NOTUM
SCHEMBL23770756 0.80 BACE1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2

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