SCHEMBL2829411

SCHEMBL2829411

CCn1nc(C(=O)O)c(Cc2cccc(C(F)(F)F)c2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
PTGER4 P35408 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPY5R Q15761 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR3 P49682 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CPT1A P50416 1/20 0.36

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
SCHEMBL2828825 0.89 KMT2A (0.40) ALDH1A1NPC1KMT2AMAPTKDM4E
SCHEMBL2829010 0.89 HPGD (0.41) ALDH1A1NPC1KMT2AMAPTKDM4E
SCHEMBL2829418 0.88 MAPT (0.40) PTGER4ALDH1A1NPC1KMT2AMAPT
SCHEMBL2825898 0.87 ALDH1A1 (0.51) PTGER4ALDH1A1NPC1KMT2AKDM4E
SCHEMBL2825256 0.86 ALDH1A1 (0.38) ALDH1A1NPC1KMT2AMAPTKDM4E
SCHEMBL2826438 0.85 GPR52 (0.39) TRPV1PTGER4MAPT
SCHEMBL1997935 0.85 SMN1; SMN2 (0.35) TRPV1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL2828384 0.83 SMN1; SMN2 (0.38) TRPV1ALDH1A1NPC1KMT2AMAPT
SCHEMBL2828338 0.83 SMN1; SMN2 (0.41) ALDH1A1NPC1KMT2AMAPTKDM4E
SCHEMBL2828404 0.83 LMNA (0.44) TRPV1PTGER4ALDH1A1NPC1KMT2A

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
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed