SCHEMBL23770488

SCHEMBL23770488

Cc1ccccc1-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
IDH2 P48735 1/20 0.39
MPL P40238 2/20 0.38
SLC6A1 P30531 2/20 0.38
SYK P43405 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.36
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
TTR P02766 1/20 0.34
SERPINE1 P05121 1/20 0.34
MAP3K5 Q99683 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
SCHEMBL23770608 0.95 NOTUM (0.41) ITGB2ICAM1ITGALMPLNOTUM
SCHEMBL23770806 0.93 RBP4 (0.36) ITGB2ICAM1ITGALMPLSLC6A1
SCHEMBL23770759 0.91 MPL (0.43) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL23770640 0.91 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL23770793 0.91 MPL (0.38) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL19970130 0.91 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL19970013 0.91 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL23770689 0.91 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL23770635 0.91 IDH2 (0.39) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL23770893 0.90 GPBAR1 (0.39) ITGB2ICAM1ITGALIDH2MPL

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