SCHEMBL9999593

SCHEMBL9999593

C=C1c2cc(Oc3ccc(C(C)(c4ccc(C#N)cc4)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)ccc2C(=O)N1c1cccc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.36
GRM5 P41594 1/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.34
MCHR1 Q99705 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR5 Q9H1C0 1/20 0.33
TDP2 O95551 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1755562 0.94 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL9999592 0.87 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL1755548 0.85 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL678816 0.80 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL1755552 0.80 MEN1 (0.35) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL25627495 0.77 BRD4 (0.50) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL12532602 0.76 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL29339126 0.76 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL26030942 0.76 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL12201312 0.76 BRD4 (0.48) ALDH1A1MEN1KMT2AMAPK1POLB

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
US-20120081833-A1 ELECTRONIC DEVICES CONTAINING POLYETHERIMIDE COMPONENTS GENERAL ELECTRIC COMPANY (US) 2012-04-05 US disclosed