SCHEMBL7922835

SCHEMBL7922835

CCC1(C)c2ccccc2N(C)C12C=Nc1c(cc(C#N)c3ccccc13)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KDM4E B2RXH2 5/20 0.51
THRB P10828 4/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX12 P18054 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL8174722 0.88 MAPT (0.65) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL12347553 0.81 MAPT (0.59) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL13843991 0.81 MAPT (0.66) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL9061827 0.81 MAPT (0.76) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL29565266 0.80 MAPT (0.52) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL3439061 0.80 MAPT (0.52) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL8526555 0.79 MAPT (0.47) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL9063236 0.78 MAPT (0.61) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL8525882 0.77 MAPT (0.47) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL9912586 0.77 MAPT (0.46) MAPTKDM4ETHRBLMNANPSR1

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