SCHEMBL1824680

SCHEMBL1824680

COc1ccc(CNCc2ccc3c(Sc4ccccc4)c(OC(N)=O)[nH]c3c2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 5/20 0.50
MAPT P10636 5/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL1823504 0.91 TP53 (0.49) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1827585 0.91 TP53 (0.53) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1824216 0.89 TP53 (0.49) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1614386 0.89 TP53 (0.57) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1826130 0.85 TP53 (0.44) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1823976 0.85 MEN1 (0.43) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1825571 0.84 ALDH1A1 (0.50) KMT2ATP53MAPTPOLBALDH1A1
SCHEMBL1824682 0.84 ALDH1A1 (0.47) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL1824783 0.84 MAPT (0.44) MEN1KMT2ATP53MAPTPOLB
SCHEMBL1822868 0.83 TP53 (0.43) MEN1KMT2ATP53MAPTPOLB

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