SCHEMBL16503579

SCHEMBL16503579

CC=C(O)c1ccc2cccc(-c3ncccc3OC)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
LMNA P02545 5/20 0.36
MAPT P10636 3/20 0.36
PGK1 P00558 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
CBFB Q13951 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 1/20 0.35
ERN1 O75460 1/20 0.35
TEK Q02763 1/20 0.35

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
SCHEMBL7918714 0.87 MEN1 (0.42) PDE10AMEN1KMT2ALMNAMAPT
SCHEMBL7916811 0.83 CCNT1 (0.40) PDE10ACCNT1CDK9MEN1KMT2A
SCHEMBL16509513 0.83 ALOX15 (0.52) PDE10AMEN1KMT2ALMNAMAPT
SCHEMBL7916046 0.79 HTR5A (0.39) PDE10ACCNT1CDK9MEN1KMT2A
SCHEMBL16509516 0.79 HTR5A (0.52) LMNAMAPT
SCHEMBL16503496 0.76 HTR2C (0.43) PDE10ALMNAMAPTALDH1A1KDM4E
SCHEMBL16503575 0.72 GABRG2 (0.35)
SCHEMBL16502693 0.70 CSNK2A2 (0.45) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16502677 0.70 ALOX15 (0.53) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7916646 0.69 DHODH (0.48) PDE10AKDM4ERAB9AHTTNPC1

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-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed