SCHEMBL24669441

SCHEMBL24669441

COc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)cc2)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.53
HTR1D P28221 2/20 0.49
SLC6A4 P31645 1/20 0.49
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
QDPR P09417 1/20 0.45
NAMPT P43490 3/20 0.45
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MCHR1 Q99705 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
SCHEMBL24670801 0.91 TMPRSS2 (0.45) TMPRSS2HTR1DSLC6A4PLAUPLAT
SCHEMBL24670178 0.90 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4PLAUPLAT
SCHEMBL29803211 0.90 TMPRSS2 (0.51) TMPRSS2HTR1DSLC6A4PLAUPLAT
SCHEMBL24670865 0.90 TMPRSS2 (0.52) TMPRSS2PLAUPLATNPC1RAB9A
SCHEMBL24671177 0.90 TMPRSS2 (0.51) TMPRSS2HTR1DSLC6A4PLAUPLAT
SCHEMBL29803378 0.89 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4NPC1RAB9A
SCHEMBL24670214 0.89 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4NPC1RAB9A
SCHEMBL24671261 0.88 QDPR (0.43) TMPRSS2HTR1DSLC6A4PLAUPLAT
SCHEMBL24671463 0.88 TMPRSS2 (0.49) TMPRSS2HTR1DSLC6A4NPC1RAB9A
SCHEMBL24891766 0.88 TMPRSS2 (0.47) TMPRSS2HTR1DSLC6A4NPC1RAB9A

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