SCHEMBL24671002

SCHEMBL24671002

N=C(N)NCc1ccc(NC(=O)c2nc(C3=CCN(C(=N)N)CC3)cs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
MASP2 O00187 1/20 0.38
ROCK2 O75116 1/20 0.35
ENPP2 Q13822 1/20 0.34
TMPRSS2 O15393 4/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
WNT3A P56704 3/20 0.34
NAMPT P43490 7/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL24671549 0.82 TP53 (0.40) F2ROCK2TMPRSS2TP53MAPT
SCHEMBL24669239 0.81 MMP12 (0.38) TMPRSS2TP53MAPTNAMPTNPC1
SCHEMBL24891885 0.80 TMPRSS2 (0.45) F2TMPRSS2MAPTNAMPTNPC1
SCHEMBL24669387 0.80 TMPRSS2 (0.45) F2TMPRSS2MAPTNAMPTNPC1
SCHEMBL24671535 0.80 TMPRSS2 (0.39) F2TMPRSS2TP53MAPTNAMPT
SCHEMBL29802997 0.79 PTPN11 (0.39) F2ROCK2TMPRSS2TP53MAPT
SCHEMBL30180918 0.79 TMPRSS2 (0.40) F2TMPRSS2NAMPTNPC1RAB9A
SCHEMBL24669641 0.79 EGLN1 (0.41) F2MAPTNAMPTNPC1ALDH1A1
SCHEMBL24670971 0.79 WNT3A (0.47) MAPTWNT3ANAMPT
SCHEMBL24671486 0.79 MAPT (0.38) F2TMPRSS2TP53MAPTNPC1

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