SCHEMBL19977060

SCHEMBL19977060

CC(NC(=O)c1cccs1)C(=O)Nc1cc(F)ccc1N1CCN(CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 1/20 0.50
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.41
BACE1 P56817 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL19977007 0.86 KMT2A (0.58) SRPK1KMT2AMEN1NPSR1KDM4E
SCHEMBL19976936 0.86 SRPK1 (0.48) SRPK1KMT2AMEN1NPSR1KDM4E
SCHEMBL18261136 0.86 HSPA1A (0.49) SRPK1KMT2AMEN1NPSR1KDM4E
SCHEMBL16999557 0.86 HSPA1A (0.49) SRPK1KMT2AMEN1NPSR1KDM4E
SCHEMBL19976982 0.77 L3MBTL1 (0.52) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL19977040 0.76 MAPT (0.71) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL19977059 0.75 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23594204 0.74 SMN1; SMN2 (0.45) KMT2AMEN1NPSR1KDM4EALDH1A1
SCHEMBL23594111 0.74 BACE1 (0.47) KMT2ANPSR1ALDH1A1MAPTTSHR
SCHEMBL16993961 0.74 KMT2A (0.52) SRPK1KMT2AMEN1NPSR1KDM4E

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