SCHEMBL24671486

SCHEMBL24671486

N=C(N)NCc1ccc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
MAPKAPK2 P49137 4/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TMPRSS2 O15393 2/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
F2 P00734 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL24669205 0.90 MAPT (0.36) MAPTTP53SMN1; SMN2MAPKAPK2MAPK1
Trifluoroacetic Acid SCHEMBL29803859 0.85 ALDH1A1 (0.36) MAPTSMN1; SMN2MAPKAPK2MAPK1TSHR
SCHEMBL24891885 0.84 TMPRSS2 (0.45) MAPTSMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL24669387 0.84 TMPRSS2 (0.45) MAPTSMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL24669641 0.83 EGLN1 (0.41) MAPTSMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL24671549 0.82 TP53 (0.40) MAPTTP53SMN1; SMN2MAPKAPK2TSHR
SCHEMBL24671535 0.82 TMPRSS2 (0.39) MAPTTP53SMN1; SMN2TSHRALDH1A1
SCHEMBL24669930 0.81 MAPKAPK2 (0.41) MAPTSMN1; SMN2MAPKAPK2MAPK1ALDH1A1
SCHEMBL29803008 0.81 MAPKAPK2 (0.41) MAPTSMN1; SMN2MAPKAPK2MAPK1ALDH1A1
SCHEMBL24891978 0.80 TMPRSS2 (0.42) MAPTSMN1; SMN2TSHRALDH1A1HPGD

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