SCHEMBL23770640

SCHEMBL23770640

Cc1ccc(F)cc1-c1nc(NSc2cccc(N3CCCC(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.40
ICAM1 P05362 4/20 0.40
ITGAL P20701 4/20 0.40
SYK P43405 2/20 0.39
IDH2 P48735 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A1 P30531 1/20 0.38
MPL P40238 2/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 2/20 0.36
ABL1 P00519 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.34
SERPINE1 P05121 1/20 0.34

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
SCHEMBL23770893 0.92 GPBAR1 (0.39) ITGB2ICAM1ITGALSYKIDH2
SCHEMBL23770488 0.91 ITGB2 (0.40) ITGB2ICAM1ITGALSYKIDH2
SCHEMBL23770793 0.88 MPL (0.38) ITGB2ICAM1ITGALSYKIDH2
SCHEMBL23770889 0.87 WDR5 (0.31) KDM4EHSD17B10GAAMAPK1ABL1
SCHEMBL23770608 0.86 NOTUM (0.41) ITGB2ICAM1ITGALMPLNOTUM
SCHEMBL23770452 0.86 PDE10A (0.34) KDM4EGAAABL1MAPT
SCHEMBL23770759 0.86 MPL (0.43) ITGB2ICAM1ITGALSYKIDH2
SCHEMBL23770689 0.85 ITGB2 (0.40) ITGB2ICAM1ITGALSYKIDH2
SCHEMBL19970013 0.85 ITGB2 (0.40) ITGB2ICAM1ITGALSYKIDH2
SCHEMBL19970130 0.85 ITGB2 (0.40) ITGB2ICAM1ITGALSYKIDH2

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