SCHEMBL9525811

SCHEMBL9525811

CCC[n+]1cc(Br)cc(C(=O)N(CCOC(=O)NCCCOC(=O)Nc2cccc3ccccc23)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.40
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 6/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
NCEH1 Q6PIU2 1/20 0.34
KDM6B O15054 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
HSD17B10 Q99714 2/20 0.33
NPY5R Q15761 1/20 0.33
PLAU P00749 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
Hydrochloric Acid SCHEMBL9524109 0.99 ALDH1A1 (0.39) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9524281 0.97 ALDH1A1 (0.39) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9528483 0.96 ALDH1A1 (0.38) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9524484 0.93 ALDH1A1 (0.39) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9525737 0.93 ALDH1A1 (0.44) ALDH1A1HPGDEPHX1KDM4EKMT2A
Iodide SCHEMBL9526189 0.92 ALDH1A1 (0.41) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9525936 0.92 ALDH1A1 (0.38) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9525684 0.90 ALDH1A1 (0.42) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9525922 0.89 ALDH1A1 (0.41) ALDH1A1HPGDEPHX1KDM4EKMT2A
Hydrochloric Acid SCHEMBL9528294 0.89 ALDH1A1 (0.42) ALDH1A1HPGDEPHX1KDM4EKMT2A

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
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP claimed