SCHEMBL11048445

SCHEMBL11048445

CC(=O)Nc1ccccc1/C=C/c1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.65
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MDM4 O15151 1/20 0.51
TP53 P04637 1/20 0.51
HDAC3 O15379 1/20 0.51
MAPK1 P28482 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL28327450 0.85 SNCA (0.81) SNCAPOLBHPGDCYP1A2CYP3A4
SCHEMBL29537463 0.85 SNCA (0.81) SNCAPOLBHPGDCYP1A2CYP3A4
SCHEMBL10006565 0.83 SNCA (0.56) SNCAPOLBHPGDCYP1A2CYP3A4
SCHEMBL10006568 0.83 SNCA (0.56) SNCAPOLBHPGDCYP1A2CYP3A4
SCHEMBL5429856 0.82 SNCA (0.62) SNCAMEN1KMT2APOLBHPGD
SCHEMBL18046509 0.82 SNCA (0.62) SNCAMEN1KMT2APOLBHPGD
SCHEMBL11048448 0.82 SNCA (0.59) SNCAMEN1KMT2APOLBHPGD
SCHEMBL11048449 0.82 SNCA (0.55) SNCAMEN1KMT2APOLBHPGD
SCHEMBL29954708 0.81 SNCA (0.61) SNCAMEN1KMT2APOLBHPGD
SCHEMBL18046820 0.80 SNCA (0.64) SNCAMEN1KMT2APOLBHPGD

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