SCHEMBL2586359

SCHEMBL2586359

CC(CCc1ccccc1)NC(=O)c1noc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
SCN3A Q9NY46 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2579176 0.89 SMN1; SMN2 (0.41) POLBALDH1A1KMT2AMEN1USP2
SCHEMBL2584691 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4261182 0.78 MEN1 (0.47) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL2587146 0.76 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4264547 0.73 KMT2A (0.48) ALDH1A1KMT2AMEN1GAANPC1
SCHEMBL2582295 0.73 GAA (0.42) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL2582491 0.72 ALDH1A1 (0.48) POLBALDH1A1KMT2AMEN1USP2
SCHEMBL2586740 0.71 MAPT (0.53) POLBALDH1A1KMT2AMEN1USP2
SCHEMBL2578684 0.71 KDM4E (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4268544 0.70 CD4 (0.45) POLBALDH1A1KMT2AHTTGAA

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
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed