SCHEMBL24671463

SCHEMBL24671463

COc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)cc2)ccc1N1CCN(C(=N)N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 5/20 0.49
HTR1D P28221 2/20 0.49
SLC6A4 P31645 1/20 0.49
CHRM1 P11229 2/20 0.44
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
QDPR P09417 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL24671336 0.88 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4CHRM1NPY2R
SCHEMBL24669441 0.88 TMPRSS2 (0.53) TMPRSS2HTR1DSLC6A4SMN1; SMN2ALDH1A1
SCHEMBL24671330 0.85 TMPRSS2 (0.46) TMPRSS2HTR1DSLC6A4CHRM1SMN1; SMN2
SCHEMBL24670887 0.85 NAMPT (0.52) TMPRSS2HTR1DSLC6A4CHRM1NPY2R
SCHEMBL24671567 0.84 TP53 (0.47) TMPRSS2NPY2RSMN1; SMN2MAPTTP53
SCHEMBL29802891 0.84 APOBEC3A (0.49) TMPRSS2HTR1DSLC6A4CHRM1NPY2R
SCHEMBL24671380 0.82 MAPT (0.53) TMPRSS2SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL24667821 0.81 TMPRSS2 (0.54) TMPRSS2SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL24670801 0.80 TMPRSS2 (0.45) TMPRSS2HTR1DSLC6A4CHRM1SMN1; SMN2
SCHEMBL24670178 0.79 TMPRSS2 (0.52) TMPRSS2HTR1DSLC6A4MAPTNPC1

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