SCHEMBL4787140

SCHEMBL4787140

O=C(CC1CCCN(S(=O)(=O)c2ccccc2)C1)ONNC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
USP5 P45974 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
SCHEMBL4795192 0.93 CYP3A4 (0.55) POLBCYP2C19MEN1KMT2AGAA
SCHEMBL4741026 0.93 ALDH1A1 (0.52) POLBCYP2C19MEN1KMT2AGAA
SCHEMBL4740423 0.88 SIRT2 (0.48) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL4740080 0.87 GAA (0.47) POLBCYP2C19GAAALDH1A1USP2
SCHEMBL4736655 0.85 HSD17B10 (0.47) CYP2C19MEN1KMT2AGAAALDH1A1
SCHEMBL4740909 0.84 CYP2C19 (0.46) CYP2C19MEN1KMT2AGAAALDH1A1
SCHEMBL4736817 0.79 HTT (0.46) POLBKMT2AALDH1A1LMNACYP3A4
SCHEMBL4740625 0.79 LMNA (0.57) CYP2C19ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL4739855 0.77 KMT2A (0.58) POLBCYP2C19MEN1KMT2AGAA
SCHEMBL4807472 0.76 CYP3A4 (0.50) POLBCYP2C19MEN1KMT2AGAA

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