SCHEMBL24891761

SCHEMBL24891761

N=CN1CCN(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(N5CCN(C(=N)N)CC5)cc4)cn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ HTT P42858 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGDS O60760 1/20 0.48
▸ PRKAA2 P54646 2/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ USP2 O75604 2/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL24891758 0.93 MAPT (0.57) MAPTALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL30181019 0.93 MAPT (0.57) MAPTALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL24669978 0.81 MAPT (0.64) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL24891879 0.81 MAPT (0.64) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL30180906 0.80 MAPT (0.50) MAPTALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL24891896 0.80 MAPT (0.50) MAPTALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL24892344 0.77 CHIA (0.51) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL24891642 0.75 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL24892272 0.75 NPC1 (0.63) MAPTALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL30182512 0.75 MAPT (0.61) MAPTALDH1A1SMN1; SMN2HTTRAB9A

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 disclosed
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