SCHEMBL9227100

SCHEMBL9227100

C=CC(=O)Oc1ccc2c3c(ccc2c1)OC1(C=N3)N(C)c2ccc(Cl)cc2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
THRB P10828 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
ALOX12 P18054 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 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
SCHEMBL9226418 0.89 KDM4E (0.40) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL17434806 0.85 MAPT (0.61) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL30920073 0.85 MAPT (0.61) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL23800830 0.83 MAPT (0.58) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL17434808 0.83 MAPT (0.75) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL29493005 0.80 MAPT (0.77) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL1626757 0.80 MAPT (0.77) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL3162588 0.78 MAPT (0.58) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL13104752 0.77 MAPT (0.62) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL13104779 0.76 MAPT (0.64) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1

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
EP-0277639-B1 Photochromic compound TORAY INDUSTRIES (JP) 1995-01-25 EP disclosed
US-5166345-A Spirooxazine polymerizable compounds TORAY INDUSTRIES, INC. (JP) 1992-11-24 US disclosed