SCHEMBL19977061

SCHEMBL19977061

CC(NC(=O)c1ccccc1F)C(=O)Nc1cc(F)ccc1N1CC2(C)CCCNC2(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR6 P46095 3/20 0.33
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL19977136 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL19977012 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL24863070 0.77 KMT2A (0.42) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL19977056 0.77 KDM4E (0.59) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL23594204 0.76 SMN1; SMN2 (0.45) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL19977027 0.75 ALDH1A1 (0.52) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL19977132 0.75 ENPP1 (0.45) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL19977131 0.74 MAP4K1 (0.51) ALDH1A1KMT2AHPGDHTTUSP2
SCHEMBL19977130 0.72 L3MBTL1 (0.44) ALDH1A1KMT2AHTTATML3MBTL1
SCHEMBL19977108 0.72 POLB (0.42) ALDH1A1KMT2AHPGDNPSR1MEN1

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