SCHEMBL4738282

SCHEMBL4738282

O=C(CC1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)NN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
FKBP1A P62942 1/20 0.44
FAAH O00519 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4741721 0.91 KMT2A (0.50) ALDH1A1MAPTEPHX2MEN1KMT2A
SCHEMBL4738918 0.86 CYP3A4 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4736676 0.86 CYP3A4 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4738964 0.86 POLB (0.51) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4739860 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL4740143 0.86 CYP3A4 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4737593 0.85 LMNA (0.57) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4736709 0.85 LMNA (0.57) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4741708 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL4739753 0.84 CYP3A4 (0.68) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO claimed
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed