SCHEMBL9057935

SCHEMBL9057935

CC(NC(=O)C1CCCC1)c1ccccc1

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.94
POLB P06746 2/20 0.72
LMNA P02545 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.68
GAA P10253 2/20 0.68
HPGD P15428 2/20 0.68
USP2 O75604 1/20 0.68
ALOX15 P16050 1/20 0.68
ALDH1A1 P00352 1/20 0.65
KCNQ3 O43525 1/20 0.65
KCNQ2 O43526 1/20 0.65
TP53 P04637 1/20 0.63
ACACB O00763 1/20 0.62
EPHX1 P07099 2/20 0.61

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
SCHEMBL517633 0.98 RECQL (0.91) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL9927461 0.98 RECQL (0.91) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL21444578 0.98 RECQL (0.91) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL15038847 0.97 RECQL (1.00) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL20663584 0.97 RECQL (1.00) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL19884283 0.93 RECQL (0.87) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL15038846 0.93 RECQL (0.87) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL14314483 0.93 RECQL (0.87) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL1909826 0.87 RECQL (0.77) RECQLPOLBLMNASMN1; SMN2GAA
SCHEMBL11390159 0.86 RECQL (0.75) RECQLPOLBLMNASMN1; SMN2GAA

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-1996000729-A2 PROCESS FOR THE PREPARATION OF AZANORADAMANTANE BENZAMIDES G.D. SEARLE & CO. (US) 1996-01-11 WO disclosed