SCHEMBL4740901

SCHEMBL4740901

O=C(CC1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1)NN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.58
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 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
SCHEMBL4738285 0.91 CYP19A1 (0.55) CYP19A1KMT2ACYP3A4MEN1CYP2C19
SCHEMBL4740459 0.91 ALDH1A1 (0.51) CYP19A1KMT2ACYP3A4MEN1CYP2C19
SCHEMBL4741097 0.91 ALDH1A1 (0.51) CYP19A1KMT2ACYP3A4MEN1CYP2C19
SCHEMBL4739879 0.89 RAB9A (0.58) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL4738964 0.87 POLB (0.51) KMT2ACYP3A4MEN1CYP2C19LMNA
SCHEMBL4740391 0.86 ALDH1A1 (0.47) CYP19A1KMT2ACYP3A4CYP2C19LMNA
SCHEMBL4740197 0.86 LMNA (0.50) CYP19A1KMT2ACYP3A4MEN1CYP2C19
SCHEMBL4740191 0.86 ALDH1A1 (0.55) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL4740383 0.85 SMN1; SMN2 (0.58) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL4740143 0.85 CYP3A4 (0.67) CYP19A1KMT2ACYP3A4MEN1CYP2C19

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 disclosed