SCHEMBL30452440

SCHEMBL30452440

COc1cccc(NC(=O)CCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 1.00
USP2 O75604 1/20 0.75
GAA P10253 4/20 0.73
MAPT P10636 3/20 0.73
ALDH1A1 P00352 2/20 0.70
HPGD P15428 1/20 0.70
NPC1 O15118 2/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
HTT P42858 1/20 0.65
ALOX15 P16050 2/20 0.64
MTNR1B P49286 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 1/20 0.62
SENP1 Q9P0U3 1/20 0.60

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
SCHEMBL13675947 0.86 RAB9A (0.75) RAB9AUSP2GAAMAPTALDH1A1
SCHEMBL27522688 0.86 RAB9A (0.75) RAB9AUSP2GAAMAPTALDH1A1
SCHEMBL27487690 0.86 USP2 (1.00) RAB9AUSP2MAPTALDH1A1HPGD
SCHEMBL1064473 0.84 RAB9A (0.73) RAB9AUSP2GAAMAPTALDH1A1
SCHEMBL3145750 0.84 RAB9A (0.72) RAB9AUSP2GAAALDH1A1HPGD
SCHEMBL3145742 0.84 RAB9A (0.72) RAB9AUSP2GAAALDH1A1HPGD
SCHEMBL3676320 0.84 RAB9A (0.73) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL8605379 0.84 RAB9A (0.72) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL5106971 0.83 RAB9A (0.70) RAB9AUSP2NPC1MTNR1B
SCHEMBL23080160 0.82 MTNR1B (0.70) RAB9AUSP2GAAALDH1A1HPGD

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
CN-112601734-B Oximino naphthoquinone compound and preparation method and application thereof 普济生物科技(台州)有限公司 2023-05-23 CN claimed
CN-112601734-B Oximino naphthoquinone compound and preparation method and application thereof 普济生物科技(台州)有限公司 2023-05-23 CN disclosed