SCHEMBL6686978

SCHEMBL6686978

COc1ccc(-n2nc(C(=O)N(C)OC)nc2-c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MDM2 Q00987 2/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 1/20 0.38
OXTR P30559 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
LMNA P02545 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
SCHEMBL6690184 0.90 L3MBTL1 (0.57) L3MBTL1MDM2BCL2MCL1SMN1; SMN2
SCHEMBL6685914 0.87 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL6684522 0.86 MEN1 (0.48) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL6684498 0.86 KMT2A (0.48) MEN1PABPC1KMT2AL3MBTL1MDM2
Hydrochloric Acid SCHEMBL6686163 0.85 L3MBTL1 (0.42) L3MBTL1PTGS2OXTR
SCHEMBL6691333 0.83 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL6687149 0.83 L3MBTL1 (0.43) L3MBTL1ALDH1A1PKMPTGS2OXTR
SCHEMBL6687139 0.82 MEN1 (0.48) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL6687312 0.82 L3MBTL1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL6689709 0.79 PTGS1 (0.46) MEN1PABPC1KMT2AL3MBTL1MDM2

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-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed