SCHEMBL17793422

SCHEMBL17793422

CCCCN(CCCC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ ALOX5 P09917 3/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ PTGER4 P35408 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ PTGES O14684 2/20 0.36
▸ RXRA P19793 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ AGTR1 P30556 1/20 0.34
▸ AGTR2 P50052 1/20 0.34

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
SCHEMBL17793424 0.95 MEN1 (0.43) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL29199093 0.87 MEN1 (0.43) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL17793440 0.86 MEN1 (0.39) MEN1KMT2APOLBPABPC1ALOX5
SCHEMBL17793420 0.86 MEN1 (0.44) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL17793487 0.86 MAPK1 (0.46) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL17793437 0.85 MEN1 (0.38) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL29199103 0.84 ALDH1A1 (0.46) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL29199095 0.84 ALDH1A1 (0.45) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL29199099 0.83 ALDH1A1 (0.47) MEN1KMT2APOLBPABPC1MAPK1
SCHEMBL29199104 0.82 MAPK1 (0.43) MEN1KMT2APOLBPABPC1MAPK1

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-2016086022-A2 HETEROAROMATIC IMIDAZOLYL COMPOUNDS AND METHODS FOR TREATING CANCER CHANNEL THERAPEUTICS, INC. (US) 2016-06-02 — — WO disclosed
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