SCHEMBL7919452

SCHEMBL7919452

C=CC(=O)Oc1ccc2c(c1)C(C)(C)C1(C=Nc3c(cc(S(=O)(=O)c4ccccc4)c4ccccc34)O1)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
THRB P10828 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL8526472 0.88 MAPT (0.57) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL8525651 0.84 MAPT (0.49) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL29565114 0.84 MAPT (0.49) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL7917137 0.83 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL8527476 0.83 LMNA (0.60) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL30920073 0.79 MAPT (0.61) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL17434806 0.79 MAPT (0.61) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL17434808 0.78 MAPT (0.75) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL8527242 0.78 KDM4E (0.58) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9227100 0.75 KDM4E (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6224210-B1 Multifocal artificial ocular lens with a transparency varying with illumination ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-05-01 US disclosed
US-6017121-A Multifocal artificial ocular lens with a transparency varying with illumination ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-01-25 US disclosed
EP-0772798-B1 SPIRO INDOLINE- 2,3']-BENZOXAZINE]-TYPE PHOTOCHROMIC COMPOUNDS CONTAINING A 6'-CYANO OR PHENYLSULPHONYL GROUP AND WITH A 7', 8'-CONDENSED BENZENE RING IN THE BENZOXAZINE RING AND USE OF SAME IN OPHTHALMIC OPTICS TRANSITIONS OPTICAL INC (US) 1999-06-02 EP disclosed
WO-1996004590-A1 SPIRO[INDOLINE-[2,3']-BENZOXAZINE]-TYPE PHOTOCHROMIC COMPOUNDS CONTAINING A 6'-CYANO OR PHENYLSULPHONYL GROUP AND WITH A 7', 8'-CONDENSED BENZENE RING IN THE BENZOXAZINE RING AND USE OF SAME IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-02-15 WO disclosed