SCHEMBL30180906

SCHEMBL30180906

N=C(N)N1CCN(c2ccc(NC(=O)c3ccnc(C(=O)Nc4ccc(N5CCN(C(=N)N)CC5)cc4)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ PKM P14618 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CHIA Q9BZP6 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL24891896 1.00 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL30182366 0.93 SLC2A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24892344 0.86 CHIA (0.51) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL30181019 0.84 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24891758 0.84 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24892272 0.83 NPC1 (0.63) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL24891879 0.83 MAPT (0.64) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24669978 0.83 MAPT (0.64) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24891893 0.83 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL24891720 0.81 MAPKAPK2 (0.55) MAPTNPC1RAB9ASMN1; SMN2HTT

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 1 patent. 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
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