SCHEMBL24671018

SCHEMBL24671018

N=C(N)N1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=N)N)CC4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY2R P49146 6/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL24670017 0.92 MAPT (0.43) SMN1; SMN2MAPTHTTMAPK1KMT2A
SCHEMBL29802900 0.92 MAPT (0.43) SMN1; SMN2MAPTHTTMAPK1KMT2A
SCHEMBL29802911 0.92 TMPRSS2 (0.41) SMN1; SMN2MAPTHTTMAPK1KMT2A
SCHEMBL24671333 0.87 MAPT (0.41) SMN1; SMN2MAPTHTTKMT2AALDH1A1
SCHEMBL29803077 0.84 MAPT (0.42) SMN1; SMN2MAPTHTTALDH1A1NPC1
SCHEMBL24667839 0.84 MAPT (0.42) SMN1; SMN2MAPTHTTALDH1A1NPC1
SCHEMBL29803673 0.83 NAMPT (0.51) SMN1; SMN2MAPTHTTMAPK1KMT2A
SCHEMBL24669557 0.83 NAMPT (0.51) SMN1; SMN2MAPTHTTMAPK1KMT2A
SCHEMBL24670299 0.83 MAPT (0.46) SMN1; SMN2MAPTHTTMAPK1KMT2A
SCHEMBL24669609 0.82 TMPRSS2 (0.45) MAPTHTTKMT2ANPY2RALDH1A1

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