SCHEMBL8525882

SCHEMBL8525882

C=CCN1c2ccccc2C(C)(C)C12C=Nc1c(cc(C#N)c3ccccc13)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
THRB P10828 5/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 4/20 0.42
RECQL P46063 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8526555 0.84 MAPT (0.47) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL8174722 0.84 MAPT (0.65) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL10338278 0.81 MAPT (0.70) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL12347553 0.78 MAPT (0.59) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL7922835 0.77 MAPT (0.51) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL3439061 0.74 MAPT (0.52) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL29565266 0.74 MAPT (0.52) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL7917137 0.73 MAPT (0.48) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL9063236 0.73 MAPT (0.61) MAPTTHRBKDM4ELMNANPSR1
SCHEMBL9745997 0.70 MAPT (0.62) MAPTTHRBKDM4ELMNANPSR1

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-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