SCHEMBL9563414

SCHEMBL9563414

CCCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ SLC10A2 Q12908 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PABPC1 P11940 1/20 0.38

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
SCHEMBL9563462 0.95 ALDH1A1 (0.40) ALDH1A1SLC10A2LMNAKMT2AMEN1
SCHEMBL7830610 0.94 SLC10A2 (0.47) ALDH1A1SLC10A2LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8138537 0.92 SLC10A2 (0.46) ALDH1A1SLC10A2LMNAKMT2AMEN1
SCHEMBL7830548 0.92 SLC10A2 (0.46) ALDH1A1SLC10A2LMNAKMT2AMEN1
SCHEMBL9563431 0.91 SMN1; SMN2 (0.46) ALDH1A1SLC10A2LMNAKMT2AMEN1
SCHEMBL7834035 0.88 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7813272 0.88 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7801628 0.87 KMT2A (0.41) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL7821036 0.87 MAPT (0.40) ALDH1A1SLC10A2LMNAKMT2AMEN1
SCHEMBL7835953 0.87 ALDH1A1 (0.43) ALDH1A1SLC10A2LMNAKMT2AMEN1

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-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
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