SCHEMBL31443404

SCHEMBL31443404

NC1CCN(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP2C19 P33261 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
TGM2 P21980 8/20 0.50
TGM1 P22735 7/20 0.50
F13A1 P00488 6/20 0.50
TGM3 Q08188 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
GRIN2B Q13224 3/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
Hydrochloric Acid SCHEMBL31443309 0.99 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL618472 0.87 SMN1; SMN2 (0.74) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL716107 0.86 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL5308873 0.84 CYP2C19 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL13547179 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL13547366 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL13547181 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL3617580 0.82 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL6237772 0.80 MEN1 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL952269 0.80 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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
WO-2025072462-A1 SULFONAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed