SCHEMBL24670801

SCHEMBL24670801

COc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)cc2C)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 5/20 0.45
HTR1D P28221 3/20 0.45
SLC6A4 P31645 2/20 0.45
QDPR P09417 1/20 0.43
NAMPT P43490 3/20 0.42
KMT2A Q03164 4/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAD52 P43351 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL24669441 0.91 TMPRSS2 (0.53) TMPRSS2HTR1DSLC6A4QDPRNAMPT
SCHEMBL24671261 0.90 QDPR (0.43) TMPRSS2HTR1DSLC6A4QDPRNAMPT
SCHEMBL24671448 0.90 TMPRSS2 (0.46) TMPRSS2HTR1DSLC6A4QDPRNAMPT
SCHEMBL29803020 0.90 TMPRSS2 (0.46) TMPRSS2HTR1DSLC6A4QDPRNAMPT
SCHEMBL24671353 0.88 TMPRSS2 (0.43) TMPRSS2QDPRNAMPTKMT2APLAU
SCHEMBL24670178 0.87 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4NAMPTKMT2A
SCHEMBL24670256 0.86 NAMPT (0.51) HTR1DQDPRNAMPTKMT2AMCHR1
SCHEMBL29802957 0.86 TMPRSS2 (0.44) TMPRSS2HTR1DSLC6A4NAMPTKMT2A
SCHEMBL24670214 0.85 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4KMT2AMAPT
SCHEMBL29803378 0.85 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4KMT2AMAPT

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