SCHEMBL30180871

SCHEMBL30180871

N=C(N)NCc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 1/20 0.56
PLAU P00749 5/20 0.54
PLG P00747 4/20 0.54
KLKB1 P03952 4/20 0.54
PRSS1 P07477 4/20 0.54
F2 P00734 3/20 0.54
EPHX2 P34913 2/20 0.54
NR1H4 Q96RI1 2/20 0.54
ROCK2 O75116 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PLAT P00750 3/20 0.49
BCAT2 O15382 1/20 0.49
NAMPT P43490 4/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL24892110 0.95 KMT2A (0.56) KMT2AMEN1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL10696567 0.89 MEN1 (0.50) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL10694980 0.89 KMT2A (0.55) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL19639325 0.88 MEN1 (0.57) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL10644987 0.88 NAMPT (0.58) KMT2AMEN1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL10693788 0.87 NAMPT (0.60) KMT2AMEN1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL10695067 0.87 NAMPT (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10606782 0.87 F2 (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL10694927 0.86 TRPV1 (0.52) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL24891801 0.86 EPHX2 (0.53) KMT2AMEN1KDM4ENPC1RAB9A

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
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO claimed