SCHEMBL2825898

SCHEMBL2825898

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.41
PTGER4 P35408 2/20 0.41
FPR2 P25090 3/20 0.40
FPR1 P21462 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
ROCK2 O75116 1/20 0.39
PLA2G2A P14555 1/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 1/20 0.38
VKORC1 Q9BQB6 1/20 0.38
IDH1 O75874 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL2828404 0.91 LMNA (0.44) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2828825 0.91 KMT2A (0.40) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2829010 0.90 HPGD (0.41) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2829418 0.89 MAPT (0.40) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2829411 0.87 TRPV1 (0.43) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2825256 0.87 ALDH1A1 (0.38) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2829015 0.85 ALDH1A1 (0.46) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2828384 0.85 SMN1; SMN2 (0.38) ALDH1A1NPC1KMT2APOLBKDM4E
SCHEMBL2828338 0.84 SMN1; SMN2 (0.41) ALDH1A1GAAPKMNPC1KMT2A
SCHEMBL2828403 0.84 KMT2A (0.48) PKMKMT2AFPR1PLA2G2ALMNA

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