SCHEMBL24891749

SCHEMBL24891749

N=C(N)Nc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(C(=N)N)CC5)cc4)(CC2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
ALOX15 P16050 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
NAMPT P43490 16/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
QDPR P09417 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
SCHEMBL24891740 0.89 NPC1 (0.41) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30182348 0.88 NPC1 (0.41) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891892 0.88 NPC1 (0.40) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891713 0.85 NPC1 (0.40) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891744 0.85 NPC1 (0.40) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL30181109 0.84 NAMPT (0.39) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL24892130 0.84 NAMPT (0.39) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL24891765 0.83 NAMPT (0.39) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL24892101 0.83 BTK (0.41) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL30180876 0.83 NAMPT (0.39) ALDH1A1NPC1ALOX15RAB9ASMN1; 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