SCHEMBL23770608

SCHEMBL23770608

Cc1ccccc1-c1nc(NSc2cccc(N3CCC(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.41
MPL P40238 3/20 0.40
RORC P51449 3/20 0.38
TTR P02766 1/20 0.37
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35

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
SCHEMBL23770488 0.95 ITGB2 (0.40) NOTUMMPLTTRITGB2ICAM1
SCHEMBL23770806 0.94 RBP4 (0.36) NOTUMMPLRORCTTRITGB2
SCHEMBL23770803 0.87 EIF2AK4 (0.39) NOTUMMPL
SCHEMBL19970153 0.87 EIF2AK4 (0.39) NOTUMMPL
SCHEMBL23770865 0.87 KHK (0.35) MPLRORCTTR
SCHEMBL23770674 0.87 MPL (0.38) MPLTTR
SCHEMBL23770759 0.86 MPL (0.43) NOTUMMPLRORCITGB2ICAM1
SCHEMBL23770658 0.86 CTSS (0.31) TTR
SCHEMBL23770793 0.86 MPL (0.38) NOTUMMPLRORCITGB2ICAM1
SCHEMBL19970013 0.86 ITGB2 (0.40) NOTUMMPLTTRITGB2ICAM1

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