SCHEMBL9025501

SCHEMBL9025501

COc1ccc(C)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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 0.86 KDM4E (0.50) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9026001 0.85 KMT2A (0.42) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9025085 0.85 RAB9A (0.43) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9216010 0.85 RAB9A (0.42) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9024885 0.85 KDM4E (0.43) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9025551 0.85 KDM4E (0.43) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9026458 0.82 KDM4E (0.41) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9026646 0.81 TSHR (0.44) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9025274 0.81 SLC6A2 (0.36) HPGDKDM4EHSD17B10TSHRMEN1
SCHEMBL9032003 0.80 DHFR (0.42) HPGDKDM4EHSD17B10TSHRMEN1

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