SCHEMBL23770690

SCHEMBL23770690

CC1(C(=O)O)CCCN(c2cccc(SNc3ccc(Cl)c(-c4ccccc4C4CCC4)n3)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
RORC P51449 2/20 0.31

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
SCHEMBL23770854 0.98 DGAT1 (0.33) DGAT1KCNH2CCNT1CDK9RORC
SCHEMBL19970138 0.98 DGAT1 (0.33) DGAT1KCNH2CCNT1CDK9RORC
SCHEMBL23770655 0.91 DGAT1 (0.32) DGAT1KCNH2RORC
SCHEMBL23770490 0.89 DGAT1 (0.30) DGAT1KCNH2RORC
SCHEMBL19970115 0.89 DGAT1 (0.34) DGAT1KCNH2
SCHEMBL22338250 0.89 DGAT1 (0.36) DGAT1KCNH2
SCHEMBL19970080 0.89 RBP4 (0.35)
SCHEMBL19970104 0.89 RBP4 (0.35)
SCHEMBL19970213 0.89 RBP4 (0.35)
SCHEMBL23770500 0.88 RORC (0.32) CCNT1CDK9RORC

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