SCHEMBL9166743

SCHEMBL9166743

COc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(CN2c3ccc(OC)cc3C(C)=CC2(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 8/20 0.53
ALOX12 P18054 5/20 0.53
GAA P10253 3/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 4/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PAX8 Q06710 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 2/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 5/20 0.45
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 5/20 0.43
CASP1 P29466 1/20 0.41

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
SCHEMBL9158409 0.86 ALDH1A1 (0.56) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL9159099 0.83 L3MBTL1 (0.60) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL20390458 0.75 ALDH1A1 (0.47) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL1917162 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL29430125 0.74 ALDH1A1 (0.49) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL9159717 0.73 ALDH1A1 (0.59) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL1323562 0.72 MAPT (0.70) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL6567228 0.72 ALDH1A1 (0.65) MAPTALDH1A1KDM4EALOX12GAA
SCHEMBL9070537 0.72 ALDH1A1 (0.51) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL13925442 0.71 ALDH1A1 (0.48) MAPTALDH1A1KDM4EGAAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428214-B1 Electrophotographic recording material AGFA GEVAERT NV (BE) 1995-03-29 EP disclosed
US-5134048-A Optical recording media and light sensitive elements AGFA-GEVAERT, N.V. (BE) 1992-07-28 US disclosed
EP-0428214-A1 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1991-05-22 EP disclosed