SCHEMBL24891713

SCHEMBL24891713

N=C(N)NCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(C(=N)N)CC5)cc4)(CC2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 17/20 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
SCHEMBL24891740 0.96 NPC1 (0.41) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891781 0.96 NPC1 (0.41) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30182348 0.95 NPC1 (0.41) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891765 0.87 NAMPT (0.39) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL30180876 0.87 NAMPT (0.39) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL30181237 0.87 MAPT (0.38) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891892 0.86 NPC1 (0.40) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891809 0.86 NPC1 (0.40) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891885 0.86 TMPRSS2 (0.45) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL24669387 0.86 TMPRSS2 (0.45) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2

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