SCHEMBL9253426

SCHEMBL9253426

CC(=O)Oc1c(C(OC(C)=O)OC(C)=O)c(=O)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.46
CCR2 P41597 1/20 0.45
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 3/20 0.44
P2RX4 Q99571 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ELANE P08246 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPK1 P28482 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9252678 0.88 ELANE (0.52) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9257528 0.88 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9257319 0.85 EDNRB (0.46) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9256830 0.83 ALDH1A1 (0.61) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9258929 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9256867 0.80 KDM4E (0.45) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9255291 0.80 KMT2A (0.46) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9252356 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTMITFLMNA
SCHEMBL9261324 0.73 ALDH1A1 (0.51) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9257233 0.73 KDM4E (0.53) KDM4EALDH1A1MAPTLMNASMN1; SMN2

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-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed