SCHEMBL11048448

SCHEMBL11048448

CC(=O)Nc1c(C=Cc2ccccc2)cccc1NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.59
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC1 Q13547 2/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.43
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL11048449 0.95 SNCA (0.55) SNCAPOLBHPGDKMT2AMEN1
SCHEMBL28327450 0.83 SNCA (0.81) SNCAPOLBHPGDNPC1RAB9A
SCHEMBL29537463 0.83 SNCA (0.81) SNCAPOLBHPGDNPC1RAB9A
SCHEMBL11048445 0.82 SNCA (0.65) SNCAPOLBHPGDKMT2AMEN1
SCHEMBL10006565 0.78 SNCA (0.56) SNCAPOLBHPGDCYP1A2CYP3A4
SCHEMBL10006568 0.78 SNCA (0.56) SNCAPOLBHPGDCYP1A2CYP3A4
SCHEMBL11145664 0.77 SIGMAR1 (0.46) SNCA
SCHEMBL27696783 0.75 SNCA (0.77) SNCANPC1RAB9AHDAC1
SCHEMBL11038552 0.72 SNCA (0.64) SNCAKMT2AMEN1NPC1RAB9A
SCHEMBL11038549 0.72 SNCA (0.64) SNCAKMT2AMEN1NPC1RAB9A

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
US-4477387-A ANTILTUMOR AGENTS OTSUKA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
EP-0055300-A1 PLATINUM (II) COMPLEXES AND ANTINEOPLASTIC AGENTS CONTAINING SAME AS EFFECTIVE INGREDIENTS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 1982-07-07 EP disclosed