SCHEMBL6684522

SCHEMBL6684522

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
MDM2 Q00987 4/20 0.44
MCL1 Q07820 2/20 0.44
BCL2 P10415 1/20 0.44
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6684498 0.87 KMT2A (0.48) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL6680338 0.87 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6686978 0.86 MEN1 (0.46) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL6687276 0.85 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6685425 0.84 L3MBTL1 (0.43) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6687139 0.84 MEN1 (0.48) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL6689709 0.80 PTGS1 (0.46) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL4988288 0.78 MEN1 (0.48) MEN1PABPC1KMT2AL3MBTL1ACACB
SCHEMBL5420057 0.78 MEN1 (0.48) MEN1PABPC1KMT2AL3MBTL1MDM2
SCHEMBL5784589 0.78 SMN1; SMN2 (0.63) MEN1KMT2AL3MBTL1ALDH1A1CYP1A2

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