SCHEMBL9026336

SCHEMBL9026336

COc1ccc(-c2cccnc2)cc1C(N)c1occ2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.47
CYP19A1 P11511 4/20 0.47
CYP11B1 P15538 4/20 0.47
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CYP17A1 P05093 3/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL9032018 0.88 DHFR (0.39) CYP17A1TLR8TLR7NPC1RAB9A
SCHEMBL9025454 0.82 CA12 (0.34) SMN1; SMN2MAPTKDM4EMEN1ALDH1A1
SCHEMBL9025514 0.82 PDE4A (0.39) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9026325 0.79 CYP11B2 (0.46) CYP11B2CYP19A1CYP11B1MKNK1MKNK2
SCHEMBL9026859 0.79 ADRA2A (0.45) NPC1RAB9AMAPTKDM4EMAPK1
SCHEMBL9025089 0.79 KDM4E (0.41) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9025520 0.79 METAP2 (0.38) MAPTKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL9025565 0.78 MAPK14 (0.39) MAPTKDM4EMAPK1ABCB1ALDH1A1
SCHEMBL9024896 0.78 MYB (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9025568 0.78 METAP2 (0.39) NPC1RAB9AMAPTKDM4EMEN1

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