SCHEMBL9868422

SCHEMBL9868422

CCCCN1c2ccccc2C(C)(C)C12C=Nc1c(ccc3ccncc13)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
THRB P10828 5/20 0.57
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALOX12 P18054 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 2/20 0.57
LMNA P02545 4/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 3/20 0.52
RECQL P46063 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9868231 0.97 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9867221 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8908836 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8907744 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8908000 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8909553 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8909435 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9802107 0.94 MAPT (0.59) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14427990 0.89 MAPT (0.72) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9868151 0.88 MAPT (0.55) 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 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