SCHEMBL9868518

SCHEMBL9868518

CCC1(C)c2ccccc2N(C)C12C=Nc1c(ccc3ccncc13)O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KDM4E B2RXH2 5/20 0.60
THRB P10828 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALOX12 P18054 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
PKM P14618 1/20 0.60
LMNA P02545 3/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9061827 0.89 MAPT (0.76) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL9867645 0.89 KDM4E (0.48) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL9866627 0.88 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL10436100 0.87 KDM4E (0.47) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL8907585 0.86 KDM4E (0.47) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL9868959 0.86 KDM4E (0.47) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL5345117 0.83 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL9061121 0.82 MAPT (0.59) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL3164013 0.81 MAPT (0.59) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL9868422 0.80 MAPT (0.57) MAPTKDM4ETHRBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017698-A Spirooxazine photochromic compounds KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-21 US disclosed
EP-0350009-A1 Photochromic compound and photochromic composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-10 EP disclosed