SCHEMBL9867244

SCHEMBL9867244

CC1(C)c2ccccc2N(C2CCCCC2)C12C=Nc1c(ccc3ccncc13)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
THRB P10828 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALOX12 P18054 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL8907682 0.85 MAPT (0.52) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9866627 0.83 MAPT (0.78) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9866689 0.81 MAPT (0.60) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9802107 0.79 MAPT (0.59) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9868251 0.78 MAPT (0.56) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9868422 0.77 MAPT (0.57) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9868231 0.76 MAPT (0.56) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9868154 0.76 MAPT (0.56) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9866755 0.76 MAPT (0.56) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9868985 0.76 MAPT (0.56) KDM4EMAPTTHRBSMN1; 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