SCHEMBL16891523

SCHEMBL16891523

COC(=O)c1ccnc(Cc2ccc(CO)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ KDM4C Q9H3R0 2/20 0.49
▸ KDM6B O15054 1/20 0.49
▸ KDM5C P41229 1/20 0.49
▸ KDM2A Q9Y2K7 1/20 0.49
▸ KDM3A Q9Y4C1 1/20 0.49
▸ ALOX15 P16050 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ JMJD6 Q6NYC1 1/20 0.44
▸ KDM5B Q9UGL1 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM5A P29375 5/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ CYP4A11 Q02928 3/20 0.42
▸ CYP4F2 P78329 2/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41

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
SCHEMBL16880817 0.87 KDM4E (0.48) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL581173 0.87 KDM5B (0.56) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL580585 0.87 KDM5B (0.56) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30740808 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL348975 0.85 KDM4C (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL18371217 0.84 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL581463 0.84 PTGS2 (0.46) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL581445 0.84 MRGPRX4 (0.46) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL16880902 0.84 KLKB1 (0.47) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL581778 0.83 MRGPRX4 (0.56) KDM4EKDM4CKDM6BKDM5CKDM2A

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-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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