SCHEMBL790291

SCHEMBL790291

Cc1cc(Br)ccc1N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
MAPT P10636 6/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
GAA P10253 2/20 0.58
THRB P10828 1/20 0.58
NR4A1 P22736 1/20 0.58
PTK2B Q14289 1/20 0.58
ALDH1A3 P47895 2/20 0.57
MCOLN3 Q8TDD5 1/20 0.47
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IGF1R P08069 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL3658442 0.98 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL30641872 0.83 IGF1R (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12499570 0.83 IGF1R (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL15854543 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL790418 0.81 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7057761 0.81 HTR3A (0.61) MAPTMEN1KMT2AHTTALOX15
SCHEMBL29580955 0.81 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL21590283 0.80 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL4885809 0.80 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL16432438 0.79 IGF1R (0.43) ALDH1A1MAPTMEN1KMT2AGAA

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed