SCHEMBL5055890

SCHEMBL5055890

CN(C)C=Cc1cnn2c(C(F)(F)F)nnc2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5055882 1.00 ALDH1A1 (0.35) ALDH1A1CYP1A2KDM4ELMNAHPGD
SCHEMBL5061095 0.73 KDM4E (0.39) KDM4ELMNAHPGDHSD17B10HTT
SCHEMBL5061093 0.73 KDM4E (0.39) KDM4ELMNAHPGDHSD17B10HTT
SCHEMBL1665000 0.72 CYP1A2 (0.44) ALDH1A1CYP1A2KDM4ELMNAHPGD
SCHEMBL5055978 0.68 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL5057035 0.67 KAT2B (0.32) ALDH1A1
SCHEMBL5055884 0.64 ALDH1A1 (0.35) ALDH1A1CYP1A2KDM4ELMNAHPGD
SCHEMBL15907138 0.60 MAPK14 (0.36) ALDH1A1CYP1A2KDM4ELMNAHPGD
SCHEMBL2265814 0.58 ALDH1A1 (0.54) ALDH1A1CYP1A2KDM4ELMNAHPGD
SCHEMBL16790057 0.55 ALDH1A1 (0.33) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP claimed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed