SCHEMBL11739656

SCHEMBL11739656

C=CCCCCCCc1ccc2cccc(O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
METAP2 P50579 2/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
KMT2A Q03164 2/20 0.39
SOS2 Q07890 1/20 0.39
USP2 O75604 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
SCHEMBL4393939 0.86 METAP2 (0.53) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL8605536 0.82 BID (0.53) KDM4EMETAP2HSD17B10PDE10AMMP2
SCHEMBL11059362 0.82 F7 (0.53) KDM4EMETAP2HSD17B10PDE10AMMP2
SCHEMBL16106732 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL16106467 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL16106604 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL16106471 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL16106504 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL16106515 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1
SCHEMBL16106369 0.82 METAP2 (0.46) KDM4EMETAP2PLAUNCF1ALDH1A1

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-4065455-A REAGENTS FOR ION EXCHANGE EXTRACTION OF METALS GENERAL MILLS CHEMICALS, INC. (US) 1977-12-27 US disclosed