SCHEMBL23770784

SCHEMBL23770784

Cc1ccccc1-c1nc(NSc2cccc(NC3CCC(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
VCP P55072 1/20 0.34
RORC P51449 3/20 0.34
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
NUDT1 P36639 1/20 0.32
IL1B P01584 1/20 0.31
MPL P40238 1/20 0.31
LCK P06239 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
SCHEMBL19970087 0.96 CCNT1 (0.35) SYKVCPRORCHSD11B1EPHX2
SCHEMBL19970024 0.91 MAPK3 (0.38) SYKEPHX2TSHRNUDT1IL1B
SCHEMBL19970021 0.91 MAPK3 (0.38) SYKEPHX2TSHRNUDT1IL1B
SCHEMBL19970019 0.91 MAPK3 (0.38) SYKEPHX2TSHRNUDT1IL1B
SCHEMBL19951335 0.89 SYK (0.42) SYKVCPRORCHSD11B1EPHX2
SCHEMBL23770573 0.89 CCNT1 (0.36) CYP1A2CYP3A4CYP2D6TSHRCLK4
SCHEMBL23770706 0.88 SMN1; SMN2 (0.36) TSHRMEN1KMT2ACCNT1
SCHEMBL23770848 0.86 IL1B (0.33) IL1BCTSA
SCHEMBL23770617 0.86 CYP1A2 (0.39) SYKCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL23770790 0.85 IL1B (0.32) IL1BCCNT1

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