SCHEMBL8136159

SCHEMBL8136159

COc1cc(C(C)(C)c2ccc(N)c(OC)c2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
CYP3A4 P08684 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTT P42858 1/20 0.47
APP P05067 4/20 0.46
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 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
SCHEMBL1143325 0.88 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31363823 0.88 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL22477432 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29811663 0.82 L3MBTL1 (0.56) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL568623 0.82 L3MBTL1 (0.56) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL13523944 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL2817207 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31363414 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL22051105 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL5355009 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 US disclosed