SCHEMBL24670299

SCHEMBL24670299

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 3/20 0.41
TMPRSS2 O15393 4/20 0.41
NAMPT P43490 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL24671333 0.92 MAPT (0.41) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24671261 0.87 QDPR (0.43) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL29803557 0.84 NAMPT (0.51) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24669521 0.84 NAMPT (0.51) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL29802861 0.84 TMPRSS2 (0.52) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24670643 0.84 TMPRSS2 (0.52) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24671353 0.84 TMPRSS2 (0.43) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24671018 0.83 SMN1; SMN2 (0.43) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL24667839 0.83 MAPT (0.42) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL29802931 0.83 TMPRSS2 (0.59) MAPTALDH1A1LMNAHTTKMT2A

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