SCHEMBL9746102

SCHEMBL9746102

CC1(C)c2ccccc2N(Cc2ccc(C(F)(F)F)cc2)C12C=Nc1c(ccc3ccccc13)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
THRB P10828 5/20 0.62
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALOX12 P18054 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
PKM P14618 2/20 0.62
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL9745693 0.90 MAPT (0.65) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2399622 0.90 MAPT (0.70) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2397282 0.89 MAPT (0.66) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9746036 0.89 MAPT (0.66) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2400708 0.88 MAPT (0.65) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9746316 0.87 MAPT (0.66) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2395869 0.86 MAPT (0.64) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8525875 0.85 MAPT (0.62) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL10620551 0.85 MAPT (0.62) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9745997 0.85 MAPT (0.62) MAPTTHRBKDM4ESMN1; SMN2ALOX12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171909-B1 SPIRO-OXAZINE COMPOUNDS AND PREPARATION THEREOF AND PHOTOCHROMIC SHAPED ARTICLE TORAY INDUSTRIES, INC. (JP) 1992-01-08 EP disclosed
US-4784474-A LENSES; WINDOWS TORAY INDUSTRIES, INC. (JP) 1988-11-15 US disclosed
EP-0171909-A1 Spiro-oxazine compounds and preparation thereof and photochromic shaped article TORAY INDUSTRIES, INC. (JP) 1986-02-19 EP disclosed