SCHEMBL24671261

SCHEMBL24671261

COc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)cc2F)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.43
TMPRSS2 O15393 4/20 0.42
NAMPT P43490 3/20 0.42
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
HTR1D P28221 1/20 0.39
SLC6A4 P31645 1/20 0.39
ABCB1 P08183 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MAPT P10636 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37

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 0.90 TMPRSS2 (0.45) QDPRTMPRSS2NAMPTHTR1DSLC6A4
SCHEMBL29802916 0.90 TMPRSS2 (0.43) TMPRSS2NAMPTKLK1KLK5CCNT1
SCHEMBL24671333 0.89 MAPT (0.41) TMPRSS2NAMPTKLK1KLK5CCNT1
SCHEMBL29802957 0.89 TMPRSS2 (0.44) TMPRSS2NAMPTKLK1KLK5CCNT1
SCHEMBL24669441 0.88 TMPRSS2 (0.53) QDPRTMPRSS2NAMPTHTR1DSLC6A4
SCHEMBL24670299 0.87 MAPT (0.46) TMPRSS2NAMPTCCNT1CDK9MAPT
SCHEMBL24669408 0.86 NAMPT (0.50) QDPRNAMPTCDK9MAPT
SCHEMBL24671177 0.86 TMPRSS2 (0.51) TMPRSS2NAMPTHTR1DSLC6A4PLAU
SCHEMBL29803211 0.86 TMPRSS2 (0.51) TMPRSS2NAMPTHTR1DSLC6A4PLAU
SCHEMBL24671552 0.85 CCNT1 (0.42) TMPRSS2KLK1KLK5CCNT1CDK9

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