SCHEMBL1831867

SCHEMBL1831867

COc1ccc2ccccc2c1CNCc1ccc2c(Sc3ccccc3)c(OC(N)=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
POLB P06746 2/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39

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
SCHEMBL1823504 0.86 TP53 (0.49) KMT2AMEN1POLBTP53MAPT
SCHEMBL1825571 0.85 ALDH1A1 (0.50) KMT2APOLBTP53MAPTSMN1; SMN2
SCHEMBL1827585 0.84 TP53 (0.53) KMT2AMEN1POLBTP53MAPT
SCHEMBL1824682 0.84 ALDH1A1 (0.47) KMT2AMEN1POLBTP53SMN1; SMN2
SCHEMBL1826130 0.84 TP53 (0.44) KMT2AMEN1POLBTP53MAPT
SCHEMBL1824680 0.83 MEN1 (0.54) KMT2AMEN1POLBTP53MAPT
SCHEMBL1824216 0.83 TP53 (0.49) KMT2AMEN1POLBTP53MAPT
SCHEMBL1826145 0.83 TP53 (0.40) KMT2AMEN1POLBTP53MAPT
SCHEMBL1824783 0.82 MAPT (0.44) KMT2AMEN1POLBTP53MAPT
SCHEMBL1822868 0.82 TP53 (0.43) KMT2AMEN1POLBTP53MAPT

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