SCHEMBL23770877

SCHEMBL23770877

COc1ccc(Cl)cc1-c1nc(NSc2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.35
CNR1 P21554 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
RORC P51449 1/20 0.34
NTRK1 P04629 1/20 0.34
DDR1 Q08345 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MCHR1 Q99705 1/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL23770722 0.92 HMOX1 (0.34) CNR1BRAFRORCMCHR1DGAT1
SCHEMBL23770834 0.92 DGAT1 (0.36) RBP4CNR1HTR2AHTR2CRAF1
SCHEMBL19970118 0.90 RORC (0.35) CNR1RAF1BRAFRORCTP53
SCHEMBL23770654 0.86 RORC (0.40) CNR1ALDH1A1BRAFRORCMAPT
SCHEMBL19951381 0.85 RBP4 (0.36) RBP4CNR1HTR2AHTR2CALDH1A1
SCHEMBL23770651 0.84 RORC (0.38) CNR1BRAFRORCDGAT1KCNH2
SCHEMBL23770880 0.84 RORC (0.41) BRAFRORCBTK
SCHEMBL23770470 0.84 DGAT1 (0.35) RBP4CNR1DGAT1KCNH2CNR2
SCHEMBL19970086 0.82 DGAT1 (0.37) RBP4CNR1RAF1BRAFRORC
SCHEMBL23770892 0.81 RORC (0.35) BRAFRORCBTK

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