SCHEMBL19977007

SCHEMBL19977007

CC(NC(=O)c1cccs1)C(=O)Nc1cc(F)ccc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 3/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
SRPK1 Q96SB4 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL19976936 0.89 SRPK1 (0.48) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19976917 0.87 ALDH1A1 (0.66) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19977060 0.86 SRPK1 (0.50) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL16993961 0.85 KMT2A (0.52) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19976996 0.84 LMNA (0.53) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19977056 0.83 KDM4E (0.59) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19977098 0.82 KDM4E (0.51) KMT2AKDM4EALDH1A1HTTMEN1
SCHEMBL19976982 0.80 L3MBTL1 (0.52) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19977040 0.78 MAPT (0.71) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL19977059 0.77 KMT2A (0.58) KMT2ANPC1RAB9AKDM4EALDH1A1

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
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed