SCHEMBL23770870

SCHEMBL23770870

Cc1ccccc1-c1cccc(N[S+]([O-])c2cccc(N3CCCC(C)(C(=O)O)C3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 4/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33
CYP11B2 P19099 1/20 0.31
SYK P43405 2/20 0.31
KIF18A Q8NI77 3/20 0.31
PTGES O14684 1/20 0.31
GBA1 P04062 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
SCHEMBL29464441 0.81 KIF18A (0.35) DGAT1KCNH2CNR1MEN1POLB
SCHEMBL19951369 0.81 KIF18A (0.35) DGAT1KCNH2CNR1MEN1POLB
SCHEMBL19951367 0.81 KIF18A (0.35) DGAT1KCNH2CNR1MEN1POLB
SCHEMBL23770638 0.78 EIF2AK4 (0.31)
SCHEMBL23770748 0.76 RORC (0.33)
SCHEMBL23770750 0.71 DGAT1 (0.32) DGAT1KCNH2CNR1KIF18ACYP1A2
SCHEMBL19925398 0.70 KIF18A (0.33) DGAT1KCNH2KIF18ACYP1A2CYP2D6
SCHEMBL29464342 0.70 KIF18A (0.33) DGAT1KCNH2KIF18ACYP1A2CYP2D6
SCHEMBL19925396 0.70 KIF18A (0.33) DGAT1KCNH2KIF18ACYP1A2CYP2D6
SCHEMBL19927751 0.70 CHRNA7 (0.37) DGAT1KCNH2CNR1SYKKIF18A

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