SCHEMBL13453232

SCHEMBL13453232

Clc1nnc(Cl)c2c1C1c3ccccc3C2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 1/20 0.46
GOT1 P17174 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
PKM P14618 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CASP1 P29466 1/20 0.32
DPP4 P27487 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL13452817 0.83 ALDH1A1 (0.42) MEN1KMT2AGAAGOT1ALDH1A1
SCHEMBL13452822 0.72
SCHEMBL30829395 0.68 MEN1 (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL545454 0.67 MEN1 (0.53) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL29490140 0.67 MEN1 (0.53) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13452747 0.67 ADORA2A (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13417456 0.65 MEN1 (0.41) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13417461 0.64 MEN1 (0.40) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL13951873 0.64 MEN1 (0.40) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL345211 0.64 GOT1 (0.62) MEN1KMT2AGOT1TDP1ALDH1A1

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-7671166-B2 High internal free volume compositions for low-k dielectric and other applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-03-02 US disclosed
US-20070117954-A1 High internal free volume compositions for low-k dielectric and other applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-24 US disclosed