SCHEMBL24670178

SCHEMBL24670178

COc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)c(C)c2)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.52
HTR1D P28221 3/20 0.49
SLC6A4 P31645 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
IMPDH2 P12268 1/20 0.43
NAMPT P43490 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
MAPT P10636 2/20 0.42
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL29803378 0.96 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL24670214 0.96 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL29803740 0.92 TMPRSS2 (0.57) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL24670713 0.92 TMPRSS2 (0.57) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL24669441 0.90 TMPRSS2 (0.53) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL29803211 0.90 TMPRSS2 (0.51) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL24671177 0.90 TMPRSS2 (0.51) TMPRSS2HTR1DSLC6A4KMT2AMEN1
SCHEMBL24670865 0.90 TMPRSS2 (0.52) TMPRSS2KMT2AMEN1NPC1USP2
SCHEMBL29802922 0.88 TMPRSS2 (0.53) TMPRSS2HTR1DSLC6A4NPC1RAB9A
SCHEMBL24669468 0.88 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO claimed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed