SCHEMBL24671333

SCHEMBL24671333

N=C(N)N1CC=C(c2ccc(C(=O)Nc3ccc(C4=CCN(C(=N)N)CC4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 3/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
F2 P00734 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
SCHEMBL24671353 0.92 TMPRSS2 (0.43) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24670299 0.92 MAPT (0.46) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24670308 0.90 TRPV1 (0.45) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24671362 0.90 MMP2 (0.40) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24671261 0.89 QDPR (0.43) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24671018 0.87 SMN1; SMN2 (0.43) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24669447 0.85 TMPRSS2 (0.48) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL24667839 0.85 MAPT (0.42) MAPTLMNAHTTNPSR1NAMPT
SCHEMBL29803214 0.85 TMPRSS2 (0.52) MAPTLMNANAMPTNPC1RAB9A
SCHEMBL29803077 0.85 MAPT (0.42) MAPTLMNAHTTNPSR1NAMPT

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