SCHEMBL1823504

SCHEMBL1823504

COc1ccccc1CNCc1ccc2c(Sc3ccccc3)c(OC(N)=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
KDM4E B2RXH2 5/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 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
SCHEMBL1824680 0.91 MEN1 (0.54) TP53HDAC3HDAC1HDAC2HDAC8
SCHEMBL1823976 0.90 MEN1 (0.43) TP53MAPTKMT2AMEN1POLB
SCHEMBL1827585 0.89 TP53 (0.53) TP53KDM4EMAPTKMT2AMEN1
SCHEMBL1826130 0.88 TP53 (0.44) TP53KDM4EMAPTKMT2AMEN1
SCHEMBL1615989 0.88 TP53 (0.56) TP53KDM4EMAPTKMT2AMEN1
SCHEMBL1825571 0.88 ALDH1A1 (0.50) TP53KDM4EHDAC1HDAC8MAPT
SCHEMBL1824216 0.87 TP53 (0.49) TP53KDM4EHDAC3HDAC1HDAC2
SCHEMBL1824682 0.87 ALDH1A1 (0.47) TP53KDM4EKMT2AMEN1ALDH1A1
SCHEMBL1824783 0.87 MAPT (0.44) TP53MAPTKMT2AMEN1POLB
SCHEMBL1822868 0.86 TP53 (0.43) TP53KDM4EMAPTKMT2AMEN1

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
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP claimed