SCHEMBL24670665

SCHEMBL24670665

Cc1cc(NC(=O)c2ccc(NC(=N)N)cc2)ccc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.54
MAPT P10636 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1D P28221 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL29803585 1.00 TMPRSS2 (0.54) TMPRSS2MAPTNPC1RAB9AKMT2A
SCHEMBL29803740 0.93 TMPRSS2 (0.57) TMPRSS2MAPTNPC1RAB9AKMT2A
SCHEMBL24670713 0.93 TMPRSS2 (0.57) TMPRSS2MAPTNPC1RAB9AKMT2A
SCHEMBL30181059 0.90 TMPRSS2 (0.48) TMPRSS2MAPTLMNAHTR1DSLC6A4
SCHEMBL29802922 0.89 TMPRSS2 (0.53) TMPRSS2MAPTNPC1RAB9AHTR1D
SCHEMBL29802915 0.89 TMPRSS2 (0.49) TMPRSS2MAPTLMNAHTR1DSLC6A4
SCHEMBL24671270 0.88 TMPRSS2 (0.52) TMPRSS2MAPTNPC1RAB9AKMT2A
SCHEMBL24670807 0.88 TMPRSS2 (0.54) TMPRSS2MAPTNPC1RAB9AKMT2A
SCHEMBL29803023 0.88 TMPRSS2 (0.54) TMPRSS2MAPTNPC1RAB9AKMT2A
SCHEMBL29803204 0.88 TMPRSS2 (0.52) TMPRSS2MAPTNPC1RAB9AKMT2A

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