SCHEMBL7408243

SCHEMBL7408243

CCOc1cc2c(cc1OCC)C(CC)C(=O)NN=C2c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 6/20 0.36
TP53 P04637 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
PRNP P04156 1/20 0.36
GUSB P08236 1/20 0.35
PTPRC P08575 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5428018 0.91 MEN1 (0.41) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL5424906 0.81 PDE4A (0.44) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL5439697 0.81 PDE4A (0.44) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL5486201 0.81 DRD2 (0.34) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL5434678 0.79 KMT2A (0.53) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL5198392 0.79 KMT2A (0.53) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL5183272 0.79 KMT2A (0.53) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL5486198 0.79 JAK2 (0.36)
SCHEMBL5436368 0.78 PDE4A (0.56) KMT2AMAPTLMNAMEN1SMN1; SMN2
SCHEMBL5431284 0.78 PDE4A (0.56) KMT2AMAPTLMNAMEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO claimed