SCHEMBL29948528

SCHEMBL29948528

CCCCOC(=O)N1CC=C(c2cn(C)nc2NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.37
JAK2 O60674 5/20 0.37
GAA P10253 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 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
SCHEMBL23536235 0.85 HTR6 (0.46) JAK1JAK2
SCHEMBL23536239 0.85 ALDH1A1 (0.35) JAK1ALDH1A1KMT2A
SCHEMBL29948618 0.79 KMT2A (0.38) GAAMMP2MMP3MMP9MMP8
SCHEMBL28867443 0.72 SCN9A (0.38)
SCHEMBL29931919 0.70 MAPT (0.40) GAAALDH1A1KMT2A
SCHEMBL2453898 0.67 KMT2A (0.39) JAK1JAK2GAAALDH1A1GLA
SCHEMBL14144348 0.67 ALDH1A1 (0.54) GAAALDH1A1KMT2A
SCHEMBL5460918 0.66 CYP1A2 (0.43) JAK1JAK2ALDH1A1KMT2A
SCHEMBL29650110 0.65 LMNA (0.47) GAAALDH1A1KMT2A
SCHEMBL29948559 0.65 CNR1 (0.50) ALDH1A1

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed