SCHEMBL6610069

SCHEMBL6610069

Cc1ccc(C)c(N2CC(OC(=O)Nc3ccc(NC(=O)Cc4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 4/20 0.40
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6609911 0.88 MAPT (0.43) SMN1; SMN2MAPTALDH1A1TP53BCHE
SCHEMBL6608759 0.88 MAPT (0.43) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL6611162 0.86 BCHE (0.39) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6610439 0.86 MAPT (0.45) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL6611416 0.85 ALDH1A1 (0.40) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL6616178 0.85 SMN1; SMN2 (0.47) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL6610923 0.85 HSD17B10 (0.42) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6611117 0.84 MAPT (0.41) SMN1; SMN2MAPTALDH1A1MCL1TP53
SCHEMBL5843128 0.84 MAPT (0.58) RAB9ASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL6611013 0.84 MAPT (0.39) MEN1KMT2APOLBSMN1; SMN2MAPT

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-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed