SCHEMBL2564458

SCHEMBL2564458

CCC(C)c1ccc(NC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 8/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
TP53 P04637 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CASP3 P42574 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
SENP8 Q96LD8 1/20 0.56
KCNK3 O14649 2/20 0.55
KDM4E B2RXH2 2/20 0.54
KCNK9 Q9NPC2 1/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
GRIA2 P42262 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
SCHEMBL12218013 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2564673 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2564961 0.83 NPC1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2566258 0.82 NPC1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL2566373 0.81 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL18774000 0.80 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL30739642 0.80 KMT2A (0.86) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL8361568 0.79 KCNK3 (0.73) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL31556825 0.79 KCNK3 (0.73) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL825718 0.77 NPC1 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1TP53

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
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed