SCHEMBL8027453

SCHEMBL8027453

N#CCCCN1C=CC2=C(CCC=C2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14721884 0.84 MEN1 (0.34) MAPTMEN1MAPK1KMT2ATHRB
SCHEMBL4913656 0.82 HRH1 (0.44) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL14722203 0.81 — —
SCHEMBL14699541 0.70 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL15900287 0.69 ALDH1A1 (0.32) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL14721914 0.69 NUDT1 (0.31) —
SCHEMBL21913839 0.61 SLC6A4 (0.32) —
SCHEMBL9383946 0.59 CA1 (0.35) CA2
SCHEMBL7623449 0.59 — —
SCHEMBL30725973 0.57 MEN1 (0.63) MAPTALDH1A1MEN1MAPK1KMT2A

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-2000064884-A1 PIPERIDYL-IMIDAZOLE DERIVATIVES, THEIR PREPARATIONS AND THERAPEUTIC USES NOVO NORDISK A/S (DK) 2000-11-02 — — WO disclosed
Send feedback