SCHEMBL24891910

SCHEMBL24891910

N=C(N)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C(=N)N)CC4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ USP2 O75604 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL24669978 0.88 MAPT (0.64) MAPTALDH1A1CYP2C19CYP2C9HPGD
SCHEMBL24891879 0.88 MAPT (0.64) MAPTALDH1A1CYP2C19CYP2C9HPGD
SCHEMBL24892110 0.83 KMT2A (0.56) MAPTSMN1; SMN2NPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL30182790 0.81 NPC1 (0.56) MAPTALDH1A1CYP2C19CYP2C9HPGD
SCHEMBL24670717 0.81 MAPT (0.58) MAPTALDH1A1CYP2C19CYP2C9HPGD
SCHEMBL24891930 0.80 MAPT (0.61) MAPTALDH1A1USP2SMN1; SMN2NPC1
SCHEMBL30180871 0.79 KMT2A (0.63) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24669387 0.79 TMPRSS2 (0.45) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL24891885 0.79 TMPRSS2 (0.45) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL24892272 0.79 NPC1 (0.63) MAPTALDH1A1USP2SMN1; SMN2NPC1

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO claimed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed
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