SCHEMBL13198518

SCHEMBL13198518

Cc1cccc(NCc2ccccc2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
HPGD P15428 1/20 1.00
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 2/20 0.54
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
NOX4 Q9NPH5 2/20 0.54
EGFR P00533 1/20 0.54

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
SCHEMBL27980734 0.87 MAPT (0.77) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11509889 0.83 MAPT (0.71) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL25280266 0.81 MAPT (0.68) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7160030 0.81 MAPT (0.68) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL802037 0.81 MAPT (1.00) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30301294 0.81 MAPT (1.00) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL24274961 0.81 MAPT (0.68) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5713631 0.80 MAPT (0.82) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4305242 0.80 MAPT (0.67) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL27597921 0.80 MAPT (0.67) MAPTHPGDSMN1; SMN2ALDH1A1KMT2A

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
WO-2010096295-A2 OXAZOLINE AND/OR OXAZINE COMPOSITIONS HENKEL CORPORATION (US) 2010-08-26 WO disclosed
WO-2008156443-A1 BENZOXAZINE CONTAINING COMPOSITIONS OF MATTER AND CURABLE COMPOSITIONS MADE THEREWITH HENKEL CORPORATION (US) 2008-12-24 WO disclosed