SCHEMBL24671177

SCHEMBL24671177

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.51
NPC1 O15118 4/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
NAMPT P43490 2/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
MAPT P10636 2/20 0.41
HTR1D P28221 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 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
SCHEMBL29803211 1.00 TMPRSS2 (0.51) TMPRSS2NPC1KMT2ARAB9AMEN1
SCHEMBL24670238 0.92 TMPRSS2 (0.46) TMPRSS2NPC1KMT2ARAB9AMEN1
SCHEMBL29803214 0.91 TMPRSS2 (0.52) TMPRSS2NPC1RAB9ANAMPTPLAU
SCHEMBL24669442 0.91 TMPRSS2 (0.46) TMPRSS2NPC1KMT2ARAB9AMEN1
SCHEMBL24671330 0.91 TMPRSS2 (0.46) TMPRSS2NPC1KMT2ARAB9AMEN1
SCHEMBL24670819 0.90 TMPRSS2 (0.44) TMPRSS2
SCHEMBL24670178 0.90 TMPRSS2 (0.52) TMPRSS2NPC1KMT2ARAB9AMEN1
SCHEMBL24669441 0.90 TMPRSS2 (0.53) TMPRSS2NPC1KMT2ARAB9AMEN1
SCHEMBL29802916 0.89 TMPRSS2 (0.43) TMPRSS2NPC1KMT2ARAB9ANAMPT
SCHEMBL24670865 0.89 TMPRSS2 (0.52) TMPRSS2NPC1KMT2ARAB9AMEN1

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