SCHEMBL23770792

SCHEMBL23770792

CC1(C(=O)O)CCCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4CO)n3)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
BTK Q06187 2/20 0.33
KIF18A Q8NI77 3/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30

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
SCHEMBL19970137 0.95 BTK (0.34) EPHX2BTKKIF18AEIF2AK4
SCHEMBL19970208 0.95 BTK (0.34) EPHX2BTKKIF18AEIF2AK4
SCHEMBL23770891 0.94 BTK (0.33) EPHX2BTKKIF18AEIF2AK4
SCHEMBL19970085 0.93 BTK (0.33) EPHX2BTKKIF18AEIF2AK4
SCHEMBL19970084 0.93 BTK (0.33) EPHX2BTKKIF18AEIF2AK4
SCHEMBL19970083 0.90 BTK (0.34) EPHX2BTKKIF18AEIF2AK4RORC
SCHEMBL23770875 0.90 BTK (0.34) EPHX2BTKKIF18AEIF2AK4RORC
SCHEMBL19970020 0.88 RBP4 (0.35) BTKEIF2AK4
SCHEMBL19970081 0.88 BTK (0.33) EPHX2BTKEIF2AK4
SCHEMBL19970127 0.88 BTK (0.33) EPHX2BTKEIF2AK4

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