SCHEMBL6528355

SCHEMBL6528355

COC(=O)Oc1ccc2c(c1)nc(NCc1ccncc1)n2C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
ITK Q08881 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL6527860 0.92 BRD4 (0.46) IDH1L3MBTL1BRD4CREBBPOPRM1
SCHEMBL6532046 0.91 OPRM1 (0.41) IDH1L3MBTL1RAF1BRAFOPRM1
SCHEMBL6532288 0.86 ACSL1 (0.41) IDH1L3MBTL1BRD4CREBBPOPRM1
SCHEMBL6533044 0.85 ALDH1A1 (0.46) IDH1L3MBTL1RAF1BRAFOPRM1
SCHEMBL6528391 0.84 OPRM1 (0.41) IDH1L3MBTL1OPRM1OPRD1OPRK1
SCHEMBL6529996 0.83 L3MBTL1 (0.40) IDH1L3MBTL1RAF1BRAFOPRM1
SCHEMBL6528295 0.83 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6528420 0.83 OGFRL1 (0.47) IDH1L3MBTL1BRD4CREBBPOPRM1
SCHEMBL6530267 0.83 HDAC6 (0.46) IDH1L3MBTL1BRD4CREBBPOPRM1
SCHEMBL6531083 0.82 L3MBTL1 (0.39) IDH1L3MBTL1RAF1BRAFOPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019186-A1 2-AMINOBENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF HIV/AIDS BAYER HEALTHCARE AG (DE) 2005-03-03 WO disclosed