SCHEMBL7917137

SCHEMBL7917137

C=CC(=O)Oc1ccc2c(c1)C(C)(C)C1(C=Nc3c(cc(C#N)c4ccccc34)O1)N2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KDM4E B2RXH2 4/20 0.48
THRB P10828 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
ALOX12 P18054 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL9912586 0.89 MAPT (0.46) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL9063236 0.86 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL7919452 0.83 KDM4E (0.46) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL13104753 0.83 KDM4E (0.40) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL29565266 0.83 MAPT (0.52) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL3439061 0.83 MAPT (0.52) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL8174722 0.81 MAPT (0.65) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL30920073 0.81 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL17434806 0.81 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL17434808 0.80 MAPT (0.75) MAPTKDM4ETHRBSMN1; SMN2LMNA

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