SCHEMBL24671339

SCHEMBL24671339

N=C(N)NCCOc1ccc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TMPRSS2 O15393 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 3/20 0.35
F2 P00734 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ESRRG P62508 1/20 0.34
SLC2A1 P11166 1/20 0.33
F10 P00742 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL29803264 0.86 RXFP1 (0.34) MAPTKDM4ELMNASMN1; SMN2TMPRSS2
SCHEMBL24670918 0.85 TMPRSS2 (0.44) MAPTKDM4ELMNASMN1; SMN2TMPRSS2
SCHEMBL24671416 0.85 TP53 (0.37) KDM4ELMNASMN1; SMN2TMPRSS2NPC1
SCHEMBL24671549 0.84 TP53 (0.40) MAPTKDM4ELMNASMN1; SMN2TMPRSS2
SCHEMBL29803084 0.83 ESRRG (0.46) MAPTKDM4ELMNASMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL29803711 0.81 TP53 (0.36) SMN1; SMN2NPC1NAMPTRXFP1HDAC3
SCHEMBL24669283 0.80 NAMPT (0.45) MAPTKDM4ELMNASMN1; SMN2NAMPT
SCHEMBL24669980 0.78 RXFP1 (0.34) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL24671418 0.75 TP53 (0.39) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL24669235 0.75 TRPV1 (0.41) MAPTTMPRSS2ESRRGTRPV1

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