SCHEMBL8647980

SCHEMBL8647980

CC(C(=O)O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ DDO Q99489 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.49
▸ TSHR P16473 4/20 0.49
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CHEK1 O14757 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALOX5 P09917 1/20 0.43

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
SCHEMBL30838562 0.82 KDM4E (0.49) DAOBRD4DDOKDM4ETSHR
SCHEMBL828487 0.82 BRD4 (0.59) DAOBRD4DDOKDM4ETSHR
SCHEMBL30638395 0.80 DAO (0.50) DAOBRD4DDOKDM4ETSHR
SCHEMBL29875597 0.79 ALOX5 (0.57) DAOBRD4DDOKDM4ETSHR
SCHEMBL1767751 0.79 ALOX5 (0.57) DAOBRD4DDOKDM4ETSHR
Hydrochloric Acid SCHEMBL22159198 0.78 BRD4 (0.54) DAOBRD4DDOKDM4ETSHR
SCHEMBL5475936 0.77 KDM4E (0.48) DAOBRD4DDOKDM4ETSHR
SCHEMBL20621731 0.76 BRD4 (0.53) DAOBRD4DDOKDM4ETSHR
SCHEMBL22035463 0.75 BRD4 (0.51) DAOBRD4DDOKDM4ETSHR
SCHEMBL31394 0.75 KDM4E (0.59) DAOBRD4DDOKDM4ETSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710139-A Heterocyclic compounds ASTRA AB (SE) 1998-01-20 — — US disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 — — EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 — — WO disclosed
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