SCHEMBL24671353

SCHEMBL24671353

Cc1cc(C2=CCN(C(=N)N)CC2)ccc1C(=O)Nc1ccc(C2=CCN(C(=N)N)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 5/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MCL1 Q07820 1/20 0.39
NAMPT P43490 4/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL24671448 0.92 TMPRSS2 (0.46) TMPRSS2MAPTALDH1A1LMNAHTT
SCHEMBL29803020 0.92 TMPRSS2 (0.46) TMPRSS2MAPTALDH1A1LMNAHTT
SCHEMBL24671333 0.92 MAPT (0.41) TMPRSS2F2F10PLGPLAU
SCHEMBL24671362 0.89 MMP2 (0.40) TMPRSS2F2F10PLGPLAU
SCHEMBL24670976 0.89 TMPRSS2 (0.41) TMPRSS2F2F10PLGPLAU
SCHEMBL29802911 0.88 TMPRSS2 (0.41) TMPRSS2F2F10PLGPLAU
SCHEMBL24670801 0.88 TMPRSS2 (0.45) TMPRSS2PLAUPLATMAPTALDH1A1
SCHEMBL24670308 0.88 TRPV1 (0.45) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL24670830 0.87 TMPRSS2 (0.41) TMPRSS2MAPTALDH1A1LMNAHTT
SCHEMBL29803743 0.87 ALDH1A1 (0.46) TMPRSS2F2F10PLGPLAU

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