SCHEMBL23770655

SCHEMBL23770655

CC1(C(=O)O)CCCN(c2cccc(SNc3ccc(C4CC4)c(-c4ccccc4C4CC4)n3)n2)C1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD11B1 P28845 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
KIF18A Q8NI77 1/20 0.30
BTK Q06187 2/20 0.30
ACACB O00763 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23770774 0.94 PTGES (0.31) DGAT1KCNH2HSD11B1RORCRORB
SCHEMBL23770490 0.94 DGAT1 (0.30) DGAT1KCNH2HSD11B1RORCRORB
SCHEMBL23770854 0.94 DGAT1 (0.33) DGAT1KCNH2RORC
SCHEMBL19970138 0.94 DGAT1 (0.33) DGAT1KCNH2RORC
SCHEMBL23770738 0.93 SSTR5 (0.33) CYP1A2CYP2D6CYP2C9HPGDTSHR
SCHEMBL19970020 0.92 RBP4 (0.35) HSD11B1BTKACACB
SCHEMBL19970129 0.92 RBP4 (0.35) HSD11B1BTKACACB
SCHEMBL23770690 0.91 DGAT1 (0.33) DGAT1KCNH2RORC
SCHEMBL19970104 0.89 RBP4 (0.35) HSD11B1BTK
SCHEMBL19970080 0.89 RBP4 (0.35) HSD11B1BTK

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