SCHEMBL9026458

SCHEMBL9026458

COc1ccc(Oc2ccccc2)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP2D6 P10635 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
LTA4H P09960 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
SCHEMBL9026850 0.90 KDM4E (0.50) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9025501 0.82 HPGD (0.50) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9026001 0.81 KMT2A (0.42) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9025551 0.81 KDM4E (0.43) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9216010 0.81 RAB9A (0.42) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9025085 0.81 RAB9A (0.43) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9024885 0.81 KDM4E (0.43) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9025420 0.78 KDM4E (0.41) KDM4EHPGDHSD17B10TSHRALDH1A1
SCHEMBL9026464 0.76 LTA4H (0.39) KDM4EHPGDALDH1A1MAPTRAB9A
SCHEMBL9032003 0.76 DHFR (0.42) KDM4EHPGDHSD17B10TSHRALDH1A1

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed