SCHEMBL14620052

SCHEMBL14620052

CC1=C2C(=O)OC(c3cccc4ccccc34)=C2C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL14620065 0.79 POLB (0.41) MAOAMAOBPOLBKDM4EENPP3
SCHEMBL14620263 0.77 MAOA (0.44) MAOAMAOBPOLBKDM4EENPP3
SCHEMBL14620043 0.75 NR1H2 (0.42) SIRT2SIRT1MAPT
SCHEMBL14620419 0.74 NR1H2 (0.35) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL6152442 0.73 POLB (0.47) POLBKDM4ESIRT2SIRT1ALDH1A1
SCHEMBL14620042 0.72 COMT (0.39) MAOBPRKDCALDH1A1MAPTGAA
SCHEMBL12394337 0.71 POLB (0.45) MAOAMAOBPOLBKDM4ESIRT2
SCHEMBL12394320 0.70 KDM4E (0.42) POLBKDM4ESIRT2SIRT1ALDH1A1
SCHEMBL14063375 0.68 CA12 (0.40) MAOAMAOBPOLBKDM4ESIRT2
SCHEMBL6152233 0.67 HPRT1 (0.45) POLBKDM4ESIRT2SIRT1ALDH1A1

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-2007003520-A1 FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 — — WO disclosed
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