SCHEMBL1823690

SCHEMBL1823690

NC(=O)Oc1[nH]c2cc(CNC(=O)C(N)Cc3ccccc3)ccc2c1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
SRC P12931 1/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
NLN Q9BYT8 1/20 0.37
OPRK1 P41145 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36

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
SCHEMBL1825415 0.89 TP53 (0.48) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1826299 0.88 TP53 (0.42) EGFRSRCTP53MAPTPOLB
SCHEMBL1825821 0.88 MMP2 (0.41) EGFRSRCTP53MAPTPOLB
SCHEMBL1615347 0.86 TP53 (0.49) EGFRSRCTP53MAPTPOLB
SCHEMBL1826130 0.85 TP53 (0.44) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1825496 0.85 TP53 (0.45) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1826407 0.85 TP53 (0.46) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1826315 0.81 TP53 (0.42) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1823406 0.80 POLB (0.42) TP53MAPTPOLBMEN1KMT2A
SCHEMBL1824783 0.80 MAPT (0.44) TP53MAPTPOLBMEN1KMT2A

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