SCHEMBL7204285

SCHEMBL7204285

NCc1cccc(CN2CC(C(N)=O)CC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2525981 0.85 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL19304098 0.82 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL2814838 0.81 PRMT6 (0.46) ALDH1A1HPGDKMT2A
SCHEMBL30633831 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL4844448 0.78 HTT (0.58) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL28882986 0.77 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL7456756 0.74 SMN1; SMN2 (0.64) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL8293397 0.74 HTT (0.71) ALDH1A1HPGDSMN1; SMN2HTTKMT2A
SCHEMBL15415933 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL27477777 0.74 PRMT6 (0.49)

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
EP-1363668-A2 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS Schering Corporation (US) 2003-11-26 EP disclosed
WO-2002058733-A2 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed