SCHEMBL19977089

SCHEMBL19977089

CC(NC(=O)c1ccccc1)C(=O)Nc1cccc2c1CCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.48
CASP3 P42574 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
LMNA P02545 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
TRPV1 Q8NER1 3/20 0.47
POLB P06746 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL19976897 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL28987534 0.83 L3MBTL1 (0.72) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6054998 0.80 L3MBTL1 (0.76) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL19976947 0.79 MEN1 (0.53) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL19976922 0.79 HPGD (0.66) KDM4EALDH1A1LMNAPOLB
SCHEMBL19976955 0.78 POLB (0.53) ALDH1A1LMNAPOLBTSHR
SCHEMBL16994026 0.78 USP30 (0.55) L3MBTL1KDM4EKMT2APOLBHDAC6
SCHEMBL12308333 0.77 ALDH1A1 (0.62) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL16993990 0.77 USP30 (0.56) L3MBTL1KDM4EKMT2APOLBHDAC6
SCHEMBL19977124 0.75 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1LMNA

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