SCHEMBL9915864

SCHEMBL9915864

CCN1C(=O)C(=Cc2cc(OC)c(/C=C/c3cc(OC)c(/C=C/c4cc(OC)c(C=C5C(=O)N(CC)C(=O)N(CC)C5=O)cc4OC)cc3OC)cc2OC)C(=O)N(CC)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EP300 Q09472 6/20 0.42
HTT P42858 2/20 0.40
MDM2 Q00987 1/20 0.40
CGAS Q8N884 1/20 0.40
GAA P10253 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PDE4B Q07343 2/20 0.38
HMGCR P04035 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9915852 0.90 MAPT (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL15592579 0.67 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10202019 0.65 MAPT (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11314234 0.65 TNFRSF1A (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16967442 0.64 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10195153 0.64 EP300 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9915849 0.64 ALDH1A1 (0.78) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL2680644 0.64 F2 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14713062 0.64 NR1H3 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14712993 0.63 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E

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-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed