SCHEMBL23770670

SCHEMBL23770670

COc1ccc(Cl)c(-c2nc(NS(=O)(=O)c3cccc(N4CCC[C@@H](C)C4)n3)ccc2C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
SCN1A P35498 4/20 0.33
SCN8A Q9UQD0 4/20 0.33
POLB P06746 3/20 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
SCHEMBL19968888 1.00 GALR2 (0.36) GALR2GALR1KMT2AHTTLMNA
SCHEMBL19951444 0.91 ITGB2 (0.41) KMT2ACAMK1DPROKR1
SCHEMBL19951445 0.91 ITGB2 (0.41) KMT2ACAMK1DPROKR1
SCHEMBL29464504 0.91 ITGB2 (0.41) KMT2ACAMK1DPROKR1
SCHEMBL19968885 0.89 HSD11B1 (0.40) KMT2AHTTLMNAMAPTMEN1
SCHEMBL19925068 0.88 ROS1 (0.33) LMNAMAPTHSD17B10SCN1ASCN8A
SCHEMBL19968894 0.87 GALR2 (0.38) GALR2GALR1LMNAMAPTALDH1A1
SCHEMBL19968902 0.87 GALR2 (0.38) GALR2GALR1LMNAMAPTALDH1A1
SCHEMBL19925629 0.86 ADRB2 (0.39) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL19925392 0.86 ADRB2 (0.40) ALDH1A1HSD17B10

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