SCHEMBL13349766

SCHEMBL13349766

CCCCOc1c(C)c(C)nc2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 4/20 0.48
▸ NMT1 P30419 4/20 0.48
▸ PLA2G2A P14555 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ AURKA O14965 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ HPGD P15428 3/20 0.44
▸ APP P05067 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 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
SCHEMBL13349883 0.86 ALDH1A1 (0.43) KDM4EHTTHPGDKCNH2ACHE
SCHEMBL13106408 0.85 PLA2G2A (0.50) NMT2NMT1PLA2G2AKDM4EAURKA
SCHEMBL13106419 0.84 PLA2G2A (0.44) NMT2NMT1PLA2G2AKDM4EAURKA
SCHEMBL13096569 0.81 SMN1; SMN2 (0.52) PLA2G2AKDM4EHTTHPGDMAPT
SCHEMBL13349767 0.79 CTSL (0.47) PLA2G2AKDM4EHPGDSLC2A1MAPT
SCHEMBL15493306 0.77 PLA2G2A (0.46) NMT2NMT1PLA2G2ASLC2A1BCHE
SCHEMBL2553820 0.75 DYRK3 (0.62) PLA2G2AKDM4EAURKACDK1CDK4
SCHEMBL12858402 0.75 KDM4E (0.51) PLA2G2AKDM4EHTTAURKACDK1
SCHEMBL12627543 0.74 AHR (0.46) PLA2G2AKDM4EHTTMAPTTSHR
SCHEMBL14884628 0.73 HASPIN (0.55) KDM4EAURKACDK1CDK4CDK2

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
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 — — EP disclosed
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