SCHEMBL19976935

SCHEMBL19976935

COc1ccc(F)cc1NC(=O)C(C)NC(=O)c1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL19976905 0.89 KMT2A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19976913 0.87 LMNA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16994009 0.85 PSMB5 (0.51) KMT2AALDH1A1
SCHEMBL16999346 0.85 PSMB5 (0.51) KMT2AALDH1A1
SCHEMBL19977009 0.81 KMT2A (0.53) KMT2AMEN1NPC1MAPTHTT
SCHEMBL19976930 0.81 ALDH1A1 (0.55) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL19977064 0.80 BACE1 (0.44) DHPS
SCHEMBL19977084 0.77 DHPS (0.46) KMT2AMEN1NPC1MAPTHTT
SCHEMBL19976942 0.77 MEN1 (0.52) KMT2AMEN1NPC1MAPTHTT
SCHEMBL19977090 0.77 DHPS (0.46) KMT2AMEN1HTTDHPS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed