SCHEMBL24671362

SCHEMBL24671362

CCc1cc(C2=CCN(C(=N)N)CC2)ccc1C(=O)Nc1ccc(C2=CCN(C(=N)N)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MAPT P10636 4/20 0.38
TMPRSS2 O15393 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 6/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL24671357 0.94 MMP2 (0.36) MMP2MMP3MAPTTMPRSS2LMNA
SCHEMBL24671333 0.90 MAPT (0.41) MMP2MMP3MAPTTMPRSS2LMNA
SCHEMBL24671353 0.89 TMPRSS2 (0.43) MMP2MMP3MAPTTMPRSS2LMNA
SCHEMBL24670308 0.86 TRPV1 (0.45) MMP2MMP3MAPTLMNAHTT
SCHEMBL29803440 0.85 NAMPT (0.50) NAMPT
SCHEMBL24669458 0.83 TMPRSS2 (0.48) MAPTTMPRSS2NAMPTF2PLG
SCHEMBL24670299 0.82 MAPT (0.46) MMP2MMP3MAPTTMPRSS2LMNA
SCHEMBL24671261 0.82 QDPR (0.43) MAPTTMPRSS2LMNAHTTNPSR1
SCHEMBL24669447 0.81 TMPRSS2 (0.48) MAPTTMPRSS2LMNAHTTNPSR1
SCHEMBL29803214 0.81 TMPRSS2 (0.52) MAPTTMPRSS2LMNANAMPTNPC1

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