SCHEMBL19976964

SCHEMBL19976964

Cc1ccccc1C(=O)NC(C)C(=O)Nc1ccccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 2/20 0.48
KCNQ2 O43526 2/20 0.46
ADRB1 P08588 1/20 0.46
POLB P06746 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHEK1 O14757 8/20 0.45
BRPF1 P55201 1/20 0.43
TSHR P16473 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
SCHEMBL19977129 0.88 ALDH1A1 (0.57) L3MBTL1ATMMAPTLMNAMAPK1
SCHEMBL19977130 0.88 L3MBTL1 (0.44) L3MBTL1ATMMAPTLMNAMAPK1
SCHEMBL19976995 0.88 ALDH1A1 (0.48) L3MBTL1ATMMAPTLMNAMAPK1
SCHEMBL19976959 0.87 LMNA (0.59) L3MBTL1ATMMAPTLMNAMAPK1
SCHEMBL19977049 0.85 ALDH1A1 (0.55) MAPTLMNAMAPK1ALDH1A1KMT2A
SCHEMBL18261127 0.84 L3MBTL1 (0.52) L3MBTL1ATMMAPTLMNAMAPK1
SCHEMBL16999804 0.84 L3MBTL1 (0.52) L3MBTL1ATMMAPTLMNAMAPK1
SCHEMBL19977014 0.83 ADRB1 (0.49) LMNAMAPK1SMN1; SMN2KCNQ2ADRB1
SCHEMBL19977054 0.81 MAPT (0.57) MAPTLMNAMAPK1ALDH1A1KMT2A
SCHEMBL5558994 0.80 POLB (0.66) L3MBTL1MAPTMAPK1ALDH1A1KMT2A

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