SCHEMBL30453094

SCHEMBL30453094

Nc1ncc(-c2ccc(C(=O)NCCCN3CCCC3)cc2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.50
MET P08581 3/20 0.50
CSF1R P07333 1/20 0.49
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL488513 1.00 ATR (0.50) ATRMETCSF1RMAPTALDH1A1
SCHEMBL487751 0.95 ATR (0.55) ATRMETCSF1RALDH1A1
SCHEMBL30453304 0.95 ATR (0.55) ATRMETCSF1RALDH1A1
SCHEMBL30454451 0.93 KLK7 (0.47) METALDH1A1MEN1KMT2A
SCHEMBL488475 0.93 KLK7 (0.47) METALDH1A1MEN1KMT2A
SCHEMBL488105 0.92 ATR (0.53) ATRMETCSF1RMAPTMEN1
SCHEMBL30453359 0.92 ATR (0.53) ATRMETCSF1RMAPTMEN1
SCHEMBL489831 0.91 MET (0.43) ATRMETMAPTALDH1A1THRB
SCHEMBL488479 0.88 CD274 (0.50) ATRMETALDH1A1
SCHEMBL30453023 0.88 CD274 (0.50) ATRMETALDH1A1

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed