SCHEMBL23770722

SCHEMBL23770722

CC(C)Oc1ccc(Cl)cc1-c1nc(NSc2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.34
JAK2 O60674 7/20 0.33
JAK1 P23458 7/20 0.33
RORC P51449 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
P2RX3 P56373 3/20 0.32
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
TPH1 P17752 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SSTR5 P35346 1/20 0.31
MCHR1 Q99705 1/20 0.31
BRAF P15056 1/20 0.31
SCN9A Q15858 1/20 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
SCHEMBL23770877 0.92 RBP4 (0.35) RORCDGAT1KCNH2CNR1CNR2
SCHEMBL23770470 0.92 DGAT1 (0.35) HMOX1JAK2JAK1TRPV1P2RX3
SCHEMBL19970118 0.89 RORC (0.35) RORCDGAT1KCNH2TPH1CNR1
SCHEMBL19951362 0.85 RORC (0.34) HMOX1JAK2JAK1RORCTRPV1
SCHEMBL23770834 0.84 DGAT1 (0.36) DGAT1KCNH2CNR1CNR2BRAF
SCHEMBL23770654 0.84 RORC (0.40) RORCTRPV1CNR1BRAF
SCHEMBL23770651 0.83 RORC (0.38) RORCDGAT1KCNH2CNR1CNR2
SCHEMBL23770880 0.82 RORC (0.41) RORCBRAF
SCHEMBL19970086 0.80 DGAT1 (0.37) RORCDGAT1KCNH2CNR1CNR2
SCHEMBL23770892 0.80 RORC (0.35) RORCBRAF

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