SCHEMBL5055978

SCHEMBL5055978

CN(C)C=Cc1cc(Cl)nn2c(C(F)(F)F)nnc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KAT2B Q92831 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5055977 1.00 ALDH1A1 (0.41) ALDH1A1KAT2BKDM4ESMN1; SMN2
SCHEMBL5057035 0.76 KAT2B (0.32) ALDH1A1KAT2B
SCHEMBL5052732 0.74 NPC1 (0.44) SMN1; SMN2
SCHEMBL5052729 0.74 NPC1 (0.44) SMN1; SMN2
SCHEMBL2263065 0.74 ALDH1A1 (0.50) ALDH1A1KAT2BKDM4ESMN1; SMN2
SCHEMBL5061042 0.70 KDM4E (0.38) ALDH1A1KDM4E
SCHEMBL5061041 0.70 KDM4E (0.38) ALDH1A1KDM4E
SCHEMBL5055882 0.68 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL5055890 0.68 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL5060898 0.66 ALDH1A1 (0.41) ALDH1A1KAT2BKDM4ESMN1; SMN2

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-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 claimed
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 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