SCHEMBL5318784

SCHEMBL5318784

COc1ccc(-c2cc3ccccc3nc2N)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TLR8 Q9NR97 3/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
ADORA1 P30542 2/20 0.51
ACACA Q13085 1/20 0.51
ADORA2A P29274 1/20 0.51
DHFR P00374 1/20 0.50
FYN P06241 2/20 0.49
SLC2A1 P11166 1/20 0.49
HPGDS O60760 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ACHE P22303 1/20 0.46

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
SCHEMBL7045347 0.77 TLR8 (1.00) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL7694555 0.77 MEN1 (0.62) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL1767756 0.76 MEN1 (1.00) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL8574353 0.76 KMT2A (0.74) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL21223576 0.75 MEN1 (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9146072 0.75 MEN1 (0.60) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30702310 0.74 KDM4E (1.00) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL23496978 0.73 MEN1 (0.66) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL22509831 0.73 KMT2A (0.71) MEN1KMT2ATLR8NPC1RAB9A
SCHEMBL30452106 0.73 KDM4E (0.57) MEN1KMT2ANPC1RAB9AALDH1A1

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
WO-2007078034-A1 A COMPOSITION FOR INHIBITING THE C-KIT PORTEIN CONTAINING BENZIMIDAZOLE AMINE DERIVATIVES OR AMINOQUINOLINE DERIVATIVES AMOREPACIFIC CORPORATION (KR) 2007-07-12 WO claimed
WO-2007078034-A1 A COMPOSITION FOR INHIBITING THE C-KIT PORTEIN CONTAINING BENZIMIDAZOLE AMINE DERIVATIVES OR AMINOQUINOLINE DERIVATIVES AMOREPACIFIC CORPORATION (KR) 2007-07-12 WO disclosed