SCHEMBL9026798

SCHEMBL9026798

CN=C(N)N(c1cc2ccccc2o1)c1cc(-c2ccncc2C)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL9026699 0.85 RAB9A (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL9026095 0.83 HPGD (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9026454 0.83 PTGS2 (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9026794 0.82 CCNC (0.33) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL9026419 0.81 HPGD (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9025850 0.81 RAB9A (0.37) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9026398 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9026343 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9026261 0.79 TSHR (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9025661 0.79 TSHR (0.46) KDM4EALDH1A1HPGDGAAHSD17B10

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