SCHEMBL9840832

SCHEMBL9840832

CCC1(C)c2cccnc2N(C)C12C=Nc1c(OC)cc(OC)cc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
THRB P10828 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9840844 0.88 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9230491 0.85 MAPT (0.52) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9325800 0.77 KDM4E (0.37) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9614654 0.76 MAPT (0.40) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9745987 0.74 MAPT (0.35) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9323992 0.73 MAPT (0.52) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9840851 0.73 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL10428734 0.72 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL10428597 0.72 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL9224085 0.72 MAPT (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4986934-A SPIROBENZOXAZINE PYRROLOPYRIDINE COMPOUNDS, EYEGLASSES PPG INDUSTRIES, INC. (US) 1991-01-22 US disclosed