SCHEMBL14620181

SCHEMBL14620181

CC1=C2C(=O)N(c3ccccc3)C(C)=C2C(=O)N1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ BCHE P06276 2/20 0.44
▸ ELANE P08246 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ GRK5 P34947 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ PGR P06401 1/20 0.42

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
SCHEMBL14620182 0.90 KMT2A (0.41) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL14620053 0.83 MGLL (0.38) MGLLALDH1A1KMT2AMEN1GAA
3,4-Dimethylphenylmaleimide SCHEMBL5074358 0.76 PARP1 (0.53) MGLLALDH1A1GAANPSR1BCHE
SCHEMBL14620057 0.76 DRD1 (0.35) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL30286549 0.75 NR1H2 (0.50) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL16280099 0.75 MGLL (0.62) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL14777408 0.74 NR1H2 (0.53) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL16307829 0.71 MGLL (0.52) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL18873218 0.71 HSPA1A (0.56) MGLLALDH1A1KMT2AMEN1GAA
SCHEMBL5068959 0.71 MGLL (0.46) MGLLALDH1A1KMT2AMEN1GAA

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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