SCHEMBL456741

SCHEMBL456741

Fc1[c]c(C2CC2)ccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CDK2 P24941 1/20 0.30
BRD4 O60885 1/20 0.30
HRH1 P35367 1/20 0.30
CTRC Q99895 1/20 0.30
ANPEP P15144 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
SCHEMBL454919 0.80 ESR2 (0.35) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL457353 0.75 PDE4D (0.33) ALDH1A1MAPTNPSR1HRH1
SCHEMBL10428951 0.72 BACE1 (0.36) MEN1ALDH1A1MAPTHPGDTSHR
SCHEMBL7814278 0.69 CYP2A6 (0.41) MEN1ALDH1A1MAPTHPGDTSHR
SCHEMBL456919 0.69 ALDH1A1 (0.41) MEN1ALDH1A1MAPTHPGDTSHR
SCHEMBL14675940 0.69 ESR2 (0.38) MEN1ALDH1A1MAPTHPGDTSHR
SCHEMBL16393627 0.66 BRD4 (0.51) ALDH1A1HPGDHSD17B10BRD4
SCHEMBL457978 0.66 TP53 (0.32) MEN1MAPTHPGDTSHRKMT2A
SCHEMBL10091277 0.65 PDK2 (0.36) KDM4EMEN1ALDH1A1KMT2ABRD4
SCHEMBL16467910 0.65 ABCB1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed