SCHEMBL9671472

SCHEMBL9671472

O=C(O)c1cn(-c2c(OCc3ccccc3)cccc2OCc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ FOLH1 Q04609 1/20 0.44
▸ PTGER1 P34995 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EDNRA P25101 1/20 0.42
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42

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
SCHEMBL9464425 0.85 LMNA (0.49) PTGER1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4422234 0.78 P4HTM (0.56) SRD5A2P4HTMMRGPRX4MEN1KMT2A
SCHEMBL9670636 0.76 L3MBTL1 (0.42) PTGER1MAPTMAPK1TDP1L3MBTL1
SCHEMBL9671368 0.73 KDM4E (0.55) KDM4EP4HTMTDP1L3MBTL1MEN1
SCHEMBL2820469 0.72 BRD4 (0.66) SRD5A2P4HTMPTGER1HPGDRXRA
SCHEMBL69486 0.71 KDM4E (0.55) KDM4EP4HTML3MBTL1
SCHEMBL8204822 0.71 FOLH1 (0.69) SRD5A2FOLH1PTGER1MAPTMAPK1
SCHEMBL17799483 0.70 SGMS2 (0.64) KDM4EFOLH1PTGER1MAPTL3MBTL1
SCHEMBL27894425 0.70 KDM4E (0.54) KDM4EP4HTML3MBTL1
SCHEMBL6591502 0.69 HDAC3 (0.61) KDM4EP4HTMPTGER1MAPTHPGD

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
EP-0323799-B1 IMIDAZOLE DERIVATIVES II SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-11 — — EP claimed
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