SCHEMBL12470818

SCHEMBL12470818

COc1ccccc1NCC(C)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM2 P08172 2/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LPAR1 Q92633 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
SLC2A1 P11166 1/20 0.39
CTSA P10619 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 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
SCHEMBL18236653 0.79 CHRM2 (0.53) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL5084056 0.76 MAPT (0.48) MAPTMEN1KMT2ATDP1GAA
SCHEMBL7615058 0.74 CHRM2 (0.51) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL11206002 0.72 MAPT (0.50) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL6327499 0.71 MAPT (0.56) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL28319292 0.71 ADRB2 (0.57) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL10632588 0.70 CHRM2 (0.59) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL16340151 0.70 MAPT (0.51) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL28587054 0.70 ALDH1A1 (0.49) MAPTMEN1KMT2ATDP1CHRM2
SCHEMBL10245032 0.69 CA1 (0.42) MEN1KMT2AL3MBTL1LPAR1ALDH1A1

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
WO-2012109343-A2 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-08-16 WO disclosed