SCHEMBL8788979

SCHEMBL8788979

COc1nc(N)cc(OC(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR6 P50406 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8788181 0.87 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL504020 0.81 LMNA (0.50) ALOX5APFEN1LMNATDP1DYRK1A
SCHEMBL29693606 0.81 LMNA (0.50) ALOX5APFEN1LMNATDP1DYRK1A
SCHEMBL13061958 0.78 ALOX5AP (0.36) ALOX5APFEN1F2RL3NOS3NOS1
SCHEMBL13351700 0.76 MAPT (0.41) LMNATDP1DYRK1AALDH1A1CYP3A4
SCHEMBL9189493 0.74 NPC1 (0.46) ALOX5APFEN1LMNADYRK1AALDH1A1
SCHEMBL11462527 0.73 PIM1 (0.40) LMNATDP1DYRK1AALDH1A1CYP3A4
SCHEMBL6826003 0.72 TLR8 (0.35) NOS3NOS1NOS2MEN1MAPT
SCHEMBL26928579 0.70
SCHEMBL9433456 0.70 ALDH1A1 (0.41) LMNAALDH1A1F2RL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed