SCHEMBL19976988

SCHEMBL19976988

CC(NC(=O)c1cccs1)C(=O)Nc1cccc2c1OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HPGD P15428 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
ABCB1 P08183 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
SCHEMBL19977042 0.91 KMT2A (0.52) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL16994054 0.83 HSPA5 (0.56) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL19976896 0.82 SMN1; SMN2 (0.47) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL19976915 0.82 MEN1 (0.48) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL16993886 0.81 USP30 (0.47) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL19976912 0.79 MRGPRX1 (0.48) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL24863111 0.79 HSPA5 (0.54) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL19977052 0.78 MRGPRX1 (0.47) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL19976991 0.78 MRGPRX1 (0.47) KMT2AHPGDKDM4EALDH1A1RAB9A
SCHEMBL19976937 0.78 TP53 (0.52) MEN1KMT2AHPGDKDM4EALDH1A1

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