SCHEMBL8025399

SCHEMBL8025399

COc1ccc(-c2ccccc2NC(=O)C(C)(C)C)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.51
PDE4D Q08499 5/20 0.48
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 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
SCHEMBL8035560 0.91 TOP2A (0.48) TOP2APDE4DPDE4APDE4BPDE4C
SCHEMBL8025349 0.89 ALDH1A1 (0.47) TOP2APDE4DPDE4APDE4BPDE4C
SCHEMBL16887761 0.82 HTT (0.61) TOP2APDE4DPDE4APDE4BPDE4C
SCHEMBL30365402 0.79 TOP2A (0.57) TOP2AKDM4EALDH1A1MAPK1ATM
SCHEMBL8035060 0.78 KMT2A (0.48) TOP2APDE4DPDE4APDE4BPDE4C
SCHEMBL4697930 0.75 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL18347692 0.74 SLC40A1 (0.51) TOP2APDE4DSMN1; SMN2
SCHEMBL1030263 0.73 LMNA (0.74) KDM4ELMNAALOX12ALDH1A1GAA
SCHEMBL2087952 0.73 CETP (0.67) TOP2AKDM4ELMNAALOX12ALDH1A1
SCHEMBL8495853 0.73 CETP (0.47) KDM4ELMNAALOX12ALDH1A1RAB9A

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
US-6069151-A Quinolines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-30 US claimed