SCHEMBL6015551

SCHEMBL6015551

Nc1nc(O)nc2cccc(OCC(=O)O)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 8/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ DHFR P00374 5/20 0.43
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL6015868 0.81 DCPS (0.46) DCPSDHFRKCNH2
SCHEMBL6015550 0.77 KDM4E (0.53) DCPSKDM4EALDH1A1HPGDDHFR
SCHEMBL13982641 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL6015544 0.74 DCPS (0.57) DCPSDHFR
SCHEMBL6015543 0.73 DCPS (0.80) DCPSDHFR
SCHEMBL6015541 0.73 DCPS (0.59) DCPSDHFR
SCHEMBL6015536 0.72 KCNH2 (0.39) DCPSKDM4EALDH1A1HPGDCASP1
SCHEMBL9042257 0.72 ACHE (0.64) KDM4EALDH1A1HSD17B10KCNH2
SCHEMBL6015547 0.71 CHRNB2 (0.51) DCPSDHFR
SCHEMBL9040699 0.71 ACHE (0.62) KDM4EALDH1A1HSD17B10KCNH2

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-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 — — WO disclosed
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