SCHEMBL24671270

SCHEMBL24671270

Cc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)c(F)c2)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 8/20 0.52
MAPT P10636 6/20 0.43
POLB P06746 1/20 0.40
HTR1D P28221 1/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
NAMPT P43490 1/20 0.38
PLAU P00749 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 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
SCHEMBL29803204 1.00 TMPRSS2 (0.52) TMPRSS2MAPTPOLBHTR1DSLC6A4
SCHEMBL24669468 0.96 TMPRSS2 (0.52) TMPRSS2MAPTPOLBHTR1DSLC6A4
SCHEMBL24670713 0.93 TMPRSS2 (0.57) TMPRSS2MAPTPOLBHTR1DSLC6A4
SCHEMBL29803740 0.93 TMPRSS2 (0.57) TMPRSS2MAPTPOLBHTR1DSLC6A4
SCHEMBL29803214 0.93 TMPRSS2 (0.52) TMPRSS2MAPTLMNATRPV1NAMPT
SCHEMBL29803358 0.90 TMPRSS2 (0.47) TMPRSS2MAPTHTR1DSLC6A4NPC1
SCHEMBL29802833 0.90 TMPRSS2 (0.46) TMPRSS2MAPTPOLBLMNATRPV1
SCHEMBL24669447 0.89 TMPRSS2 (0.48) TMPRSS2MAPTLMNANAMPTNPC1
SCHEMBL24671240 0.89 TMPRSS2 (0.46) TMPRSS2TRPV1
SCHEMBL29802859 0.89 TMPRSS2 (0.46) TMPRSS2TRPV1

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 1 patent. 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 disclosed