SCHEMBL1822579

SCHEMBL1822579

NC(=O)Oc1[nH]c2cc(CNCc3ccc(C=Cc4ccccc4)cc3)ccc2c1Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 10/20 0.39
HDAC3 O15379 8/20 0.39
HDAC2 Q92769 8/20 0.39
HDAC8 Q9BY41 8/20 0.39
HDAC4 P56524 4/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MEN1 O00255 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

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
SCHEMBL1826130 0.93 TP53 (0.44) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1826315 0.90 TP53 (0.42) TP53MAPTPOLBHDAC1MEN1
SCHEMBL1822442 0.90 TP53 (0.42) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1824783 0.89 MAPT (0.44) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1823959 0.89 TP53 (0.48) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1823406 0.87 POLB (0.42) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1827585 0.87 TP53 (0.53) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1823610 0.87 TP53 (0.40) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1824690 0.87 TP53 (0.42) TP53MAPTPOLBMEN1TUBB4A
SCHEMBL1615497 0.86 TP53 (0.47) TP53MAPTPOLBHDAC1HDAC3

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