SCHEMBL29464342

SCHEMBL29464342

Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC[C@@](C)(C(=O)O)C3)n2)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 9/20 0.33
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
JAK2 O60674 1/20 0.32
KMO O15229 2/20 0.32
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
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
SCHEMBL19925398 1.00 KIF18A (0.33) KIF18ADGAT1KCNH2JAK2KMO
SCHEMBL19925396 1.00 KIF18A (0.33) KIF18ADGAT1KCNH2JAK2KMO
SCHEMBL19951306 0.93 DGAT1 (0.34) KIF18ADGAT1KCNH2JAK2KMO
SCHEMBL29464518 0.93 DGAT1 (0.34) KIF18ADGAT1KCNH2JAK2KMO
SCHEMBL19951305 0.93 DGAT1 (0.34) KIF18ADGAT1KCNH2JAK2KMO
SCHEMBL19925808 0.92 CTSA (0.34) KIF18ADGAT1KCNH2CYP1A2CYP2D6
SCHEMBL19925805 0.92 CTSA (0.34) KIF18ADGAT1KCNH2CYP1A2CYP2D6
SCHEMBL29464511 0.92 CTSA (0.34) KIF18ADGAT1KCNH2CYP1A2CYP2D6
SCHEMBL19925715 0.91 RORC (0.32) KIF18ADGAT1KCNH2RORCRORB
SCHEMBL19925709 0.91 RORC (0.32) KIF18ADGAT1KCNH2RORCRORB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN claimed
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed