SCHEMBL29450605

SCHEMBL29450605

S=C(Nc1ccccc1-c1cccnc1)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ LMNA P02545 4/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ ALOX12 P18054 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL29450637 0.85 POLB (0.64) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL16982846 0.80 MAPT (0.56) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL9426269 0.74 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL9426354 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL9425866 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL9426325 0.74 MAPT (0.60) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
Hydrochloric Acid SCHEMBL9426281 0.73 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL9426037 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTLMNANPSR1
SCHEMBL16666104 0.72 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL29450610 0.72 KMT2A (0.67) ALDH1A1SMN1; SMN2HTTKDM4EMEN1

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-2022030589-A1 LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME 国立大学法人北海道大学 2022-02-10 — — WO disclosed
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