SCHEMBL21881748

SCHEMBL21881748

CC(C)Nc1ccc(Oc2ccc(N)cc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 3/20 0.38
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5583833 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7806773 0.81 MAPT (0.59) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL30744926 0.79 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL362820 0.79 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL10612285 0.79 TDP1 (0.54) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21925217 0.79 MAPT (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL5314648 0.76 L3MBTL1 (0.63) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL13783383 0.76 TEAD4 (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL29866279 0.76 TEAD4 (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4715484 0.76 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115501-A1 BRANCHED POLYIMIDE COMPOSITIONS, METHOD OF MANUFACTURE, AND USES THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2020-04-16 US disclosed