SCHEMBL29218626

SCHEMBL29218626

Cc1cc(NC2CCC(OC(N)=O)CC2)cc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL29218774 0.88 MAPT (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29218644 0.87 GFER (0.45) NPC1RAB9AMAPTUSP2ALDH1A1
SCHEMBL29218634 0.83 MAPT (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29218718 0.81 TAS1R3 (0.37) KMT2AALDH1A1LMNA
SCHEMBL29218616 0.81 NPY5R (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29218647 0.78 USP2 (0.34) KMT2AMAPTUSP2ALDH1A1KDM4E
SCHEMBL29218716 0.77 ALDH1A1 (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL28487447 0.76 EPHX2 (0.45) NPC1RAB9AMEN1KMT2AROCK2
SCHEMBL29218851 0.76 POLB (0.46) NPC1RAB9AALDH1A1LMNAEPHX2
SCHEMBL25041353 0.73 KDM1A (0.38) ROCK2

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-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
Send feedback