SCHEMBL30647995

SCHEMBL30647995

CSc1nc2c(c(OCc3ccccc3)n1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
PPARG P37231 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL20584210 0.84 PPARG (0.44) KMT2AGAAPPARGL3MBTL1NPC1
SCHEMBL28833896 0.79 PPARG (0.47) KMT2AGAAPPARGHTT
SCHEMBL30647990 0.79 MGMT (0.52) L3MBTL1
SCHEMBL30647979 0.76 POLB (0.50) KMT2AL3MBTL1SMN1; SMN2
SCHEMBL23481535 0.76 PPARG (0.42) KMT2AGAAPPARGL3MBTL1SMN1; SMN2
SCHEMBL23415264 0.74 P2RX3 (0.46) PPARG
SCHEMBL1101906 0.73 NPSR1 (0.50) KMT2AGAAL3MBTL1NPC1RAB9A
SCHEMBL31521323 0.72 HRH4 (0.34) KMT2AGAAPPARG
SCHEMBL1053863 0.71 PPARG (0.49) KMT2APPARGL3MBTL1HTT
SCHEMBL23481522 0.71 PPARG (0.36) KMT2APPARGL3MBTL1

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
EP-4522594-A1 PTPN2 INHIBITORS Ness Therapeutics, Inc. (US) 2025-03-19 EP disclosed
WO-2023220572-A1 PTPN2 INHIBITORS NESS THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed