SCHEMBL23770813

SCHEMBL23770813

CC(C)c1ccccc1-c1nc(NSc2cccc(N3CCCC(C(=O)O)C3)n2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.40
ICAM1 P05362 4/20 0.40
ITGAL P20701 4/20 0.40
DGAT2 Q96PD7 2/20 0.39
P2RX7 Q99572 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
MAP3K5 Q99683 1/20 0.35
HSD11B1 P28845 1/20 0.35
NOTUM Q6P988 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C1 Q04828 1/20 0.34
MPL P40238 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
SCHEMBL23770668 0.90 GPBAR1 (0.40) P2RX7GPBAR1MAP3K5HSD11B1NOTUM
SCHEMBL23770462 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALDGAT2MAP3K5
SCHEMBL19970014 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALDGAT2MAP3K5
SCHEMBL19970209 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALDGAT2MAP3K5
SCHEMBL23770656 0.88 P2RX7 (0.39) DGAT2P2RX7GPBAR1HSD11B1NOTUM
SCHEMBL23770485 0.87 P2RX7 (0.38) DGAT2P2RX7GPBAR1HSD11B1NOTUM
SCHEMBL23770648 0.85 GPBAR1 (0.41) P2RX7GPBAR1MAP3K5HSD11B1NOTUM
SCHEMBL23770821 0.82 DGAT1 (0.33)
SCHEMBL23770759 0.82 MPL (0.43) ITGB2ICAM1ITGALP2RX7GPBAR1
SCHEMBL23770488 0.78 ITGB2 (0.40) ITGB2ICAM1ITGALGPBAR1MAP3K5

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