SCHEMBL24670865

SCHEMBL24670865

COc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)c(Cl)c2)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.52
MAOB P27338 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
NAMPT P43490 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29802931 0.91 TMPRSS2 (0.59) TMPRSS2MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL24670178 0.90 TMPRSS2 (0.52) TMPRSS2MAPTKMT2ANPC1RAB9A
SCHEMBL24669441 0.90 TMPRSS2 (0.53) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL24671177 0.89 TMPRSS2 (0.51) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL29803211 0.89 TMPRSS2 (0.51) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL29803023 0.89 TMPRSS2 (0.54) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL24670807 0.89 TMPRSS2 (0.54) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL29803378 0.88 TMPRSS2 (0.52) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL24670214 0.88 TMPRSS2 (0.52) TMPRSS2TP53MAPTSMN1; SMN2KMT2A
SCHEMBL24671550 0.85 NAMPT (0.49) MAOBTP53MAPTSMN1; SMN2THRB

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