SCHEMBL13618350

SCHEMBL13618350

COC(=O)Cc1ccc(-c2n[nH]c3ccccc23)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MAP2K4 P45985 2/20 0.42
EGFR P00533 2/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CYP1A2 P05177 1/20 0.41
YTHDC1 Q96MU7 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
TTK P33981 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 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
SCHEMBL1901638 0.80 KDM4E (0.61) KDM4ESTAT3HIF1ASMN1; SMN2MAP2K4
SCHEMBL5565435 0.79 PDE5A (0.56) KDM4EHIF1ASMN1; SMN2MAP2K4ALDH1A1
SCHEMBL3232557 0.76 KDM4E (0.62) KDM4ESTAT3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL3240192 0.75 MAP2K4 (0.56) KDM4ESTAT3HIF1AMAP2K4ALDH1A1
SCHEMBL4300704 0.74 SMN1; SMN2 (0.71) KDM4ESTAT3HIF1ASMN1; SMN2EGFR
SCHEMBL23909017 0.71 SMN1; SMN2 (0.66) KDM4ESTAT3HIF1ASMN1; SMN2EGFR
SCHEMBL13618347 0.71 PDE5A (0.71) KDM4EHIF1ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL17581887 0.70 HSP90AB1 (0.50) KDM4ESMN1; SMN2ALDH1A1RAB9AGAA
Acetic Acid Methyl Ester SCHEMBL15622680 0.69 KDM4E (0.69) KDM4ESTAT3HIF1ASMN1; SMN2MAP2K4
SCHEMBL14497193 0.68 KDM4E (0.49) KDM4ESMN1; SMN2MAP2K4ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425011-B1 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2009-11-04 EP disclosed
EP-1331223-B1 Method of treating sepsis YUNG SHIN PHARMACEUTICAL IND (TW) 2008-02-13 EP disclosed