SCHEMBL13745505

SCHEMBL13745505

CC(NC(=O)C1CCN(C)CC1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.73
TP53 P04637 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 2/20 0.67
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 1/20 0.57
ACACB O00763 1/20 0.56
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL19884283 0.88 RECQL (0.87) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL15038846 0.88 RECQL (0.87) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL14314483 0.88 RECQL (0.87) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL23996271 0.86 ACACB (0.57) RECQLTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL9057935 0.84 RECQL (0.94) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL20663584 0.84 RECQL (1.00) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL15038847 0.84 RECQL (1.00) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL24423986 0.84 SMN1; SMN2 (0.53) RECQLTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL21444578 0.83 RECQL (0.91) RECQLTP53SMN1; SMN2ALDH1A1USP2
SCHEMBL517633 0.83 RECQL (0.91) RECQLTP53SMN1; SMN2ALDH1A1USP2

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed