SCHEMBL9802107

SCHEMBL9802107

CC1(C)c2ccccc2N(CCCCCCN2c3ccccc3C(C)(C)C23C=Nc2c(ccc4ccncc24)O3)C12C=Nc1c(ccc3ccncc13)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
THRB P10828 5/20 0.59
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALOX12 P18054 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 2/20 0.59
LMNA P02545 4/20 0.53
GAA P10253 4/20 0.53
RECQL P46063 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
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
SCHEMBL8909553 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8908000 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8908836 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9867221 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8909435 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8907744 0.96 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9868231 0.95 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9868422 0.94 MAPT (0.57) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9866755 0.90 MAPT (0.56) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9868154 0.90 MAPT (0.56) 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
JP-3099083-A None JP disclosed
JP-H0399083-A PHOTOCHROMIC COMPOUND AND COMPOSITION KUREHA CHEM IND CO LTD 1991-04-24 JP disclosed