SCHEMBL7812297

SCHEMBL7812297

COc1ccc(-c2c(C(=O)c3ccccc3)c(CSc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ CASP1 P29466 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PABPC1 P11940 1/20 0.40

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
SCHEMBL7834035 0.91 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7813272 0.90 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL9563431 0.89 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7835953 0.88 ALDH1A1 (0.43) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7830610 0.87 SLC10A2 (0.47) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7809634 0.86 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7830548 0.85 SLC10A2 (0.46) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL9563414 0.85 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL8138537 0.85 SLC10A2 (0.46) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7801628 0.85 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686630-B1 Quinoline derivatives and pharmaceutical composition containing them TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-14 — — EP disclosed
US-5641788-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-06-24 — — US disclosed
EP-0686630-A1 Quinoline derivatives and pharmaceutical composition containing them TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-13 — — EP disclosed
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