SCHEMBL29464504

SCHEMBL29464504

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
MPL P40238 1/20 0.39
IDH2 P48735 1/20 0.37
NOTUM Q6P988 4/20 0.37
S1PR1 P21453 1/20 0.37
CAMK1D Q8IU85 1/20 0.36
SLC6A11 P48066 1/20 0.35
P2RX7 Q99572 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
RORC P51449 1/20 0.34
KMT2A Q03164 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL19951445 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALMPLIDH2
SCHEMBL19951444 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALMPLIDH2
SCHEMBL23770670 0.91 GALR2 (0.36) CAMK1DKMT2APROKR1
SCHEMBL19968888 0.91 GALR2 (0.36) CAMK1DKMT2APROKR1
SCHEMBL19925068 0.86 ROS1 (0.33)
SCHEMBL19927716 0.85 RORC (0.37) RORC
SCHEMBL19927760 0.84 HCRTR1 (0.34) RORC
SCHEMBL19927763 0.84 HCRTR1 (0.34) RORC
SCHEMBL19925047 0.84 IDH2 (0.39) ITGB2ICAM1ITGALMPLIDH2
SCHEMBL29464498 0.84 IDH2 (0.39) ITGB2ICAM1ITGALMPLIDH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN claimed
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed