SCHEMBL11376092

SCHEMBL11376092

CC(=O)Nc1cccc2cc3cccc(NC(C)=O)c3nc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC40A1 Q9NP59 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAOA P21397 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL2866113 0.89 MEN1 (0.48) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL4711326 0.81 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ASLC40A1
SCHEMBL5053488 0.79 TDP1 (0.71) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL29918706 0.79 TDP1 (0.71) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL28004161 0.77 CCR1 (0.50) ALDH1A1HPGDKDM4EMAPTSLC40A1
SCHEMBL3925314 0.76 ALDH1A1 (0.60) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL22125096 0.76 SLC40A1 (0.48) CASP6ALDH1A1HPGDKDM4EMAPT
SCHEMBL8888959 0.76 PARP1 (0.55) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL2295132 0.75 MAPT (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL22946629 0.75 POLB (0.45) CASP6ALDH1A1HPGDKDM4EMAPT

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
US-4255597-A FROM PARTIALLY CHLORINATED CYCLOPENTADIENE IN LIQUID PHASE, PHENANTHROLINE OR 8-HYDROXYQUINOLINE TO REDUCE COKING VELSICOL CHEMICAL CORPORATION (US) 1981-03-10 — — US disclosed
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