SCHEMBL9102825

SCHEMBL9102825

O=C(CCCNCCCn1c(=O)[nH]c2ccccc2c1=O)NCCCn1c(=O)[nH]c2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.73
GLA P06280 1/20 0.73
ALDH1A1 P00352 7/20 0.66
MAPT P10636 4/20 0.65
UBE2N P61088 1/20 0.65
KDM4E B2RXH2 3/20 0.65
GAA P10253 1/20 0.64
MAPK1 P28482 2/20 0.62
USP2 O75604 1/20 0.62
MAPK10 P53779 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HPGD P15428 4/20 0.62
HTT P42858 1/20 0.62
TP53 P04637 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59

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
SCHEMBL2855888 0.95 HSD17B10 (0.70) HSD17B10GLAALDH1A1MAPTUBE2N
SCHEMBL2858296 0.86 ALDH1A1 (0.69) HSD17B10GLAALDH1A1KDM4EMAPK1
SCHEMBL2861650 0.86 ALDH1A1 (0.69) HSD17B10GLAALDH1A1KDM4EMAPK1
SCHEMBL2867374 0.86 ALDH1A1 (0.69) HSD17B10GLAALDH1A1KDM4EMAPK1
SCHEMBL2859662 0.85 ALDH1A1 (0.68) HSD17B10GLAALDH1A1MAPTUBE2N
SCHEMBL2855808 0.81 ALDH1A1 (0.65) HSD17B10GLAALDH1A1KDM4EMAPK1
SCHEMBL2864602 0.81 LMNA (0.58) HSD17B10GLAALDH1A1MAPTKDM4E
SCHEMBL2863203 0.81 ALDH1A1 (0.61) HSD17B10GLAALDH1A1KDM4EMAPK1
SCHEMBL2861596 0.79 ALDH1A1 (0.63) HSD17B10GLAALDH1A1MAPTKDM4E
SCHEMBL2861611 0.79 ALDH1A1 (0.63) HSD17B10GLAALDH1A1MAPTKDM4E

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-2239257-B1 NOVEL QUINAZOLINE-2,4-DIONE DERIVATIVE, AND MEDICAL COMPOSITIONS FOR THE PROPHYLAXIS AND TREATMENT OF CRANIAL NERVE DISEASE CONTAINING THE SAME SHIN POONG PHARMACEUTICAL CO LTD (KR) 2012-06-06 EP claimed