SCHEMBL17122656

SCHEMBL17122656

CCCCCCNc1nc(N2CCN(C(=O)C3CCCO3)CC2)nc2cc(OC)c(OC)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 4/20 0.67
HPGD P15428 4/20 0.67
GLA P06280 4/20 0.67
HSD17B10 Q99714 3/20 0.67
GAA P10253 3/20 0.67
MAPK1 P28482 2/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
SLC22A1 O15245 1/20 0.67
ABCC4 O15439 1/20 0.67
LMNA P02545 1/20 0.67
ADRA2A P08913 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
DRD1 P21728 1/20 0.67
ACHE P22303 1/20 0.67
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67

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
SCHEMBL17122659 0.90 KDM4E (0.64) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL29605359 0.87 KDM4E (0.72) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL28773386 0.87 KDM4E (0.72) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122603 0.87 KDM4E (0.66) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122731 0.86 KDM4E (0.70) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122700 0.86 KDM4E (0.77) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122644 0.85 KDM4E (0.69) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122611 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122640 0.85 KDM4E (0.78) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL17122638 0.84 KDM4E (0.74) KDM4EALDH1A1HPGDGLAHSD17B10

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-2924037-A1 QUINAZOLINE DERIVATE AND USE THEREOF AS APOPTOSIS INHIBITOR Linx Pharmaceutical Co., Ltd. (CN) 2015-09-30 EP disclosed