SCHEMBL9563431

SCHEMBL9563431

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 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
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ PKM P14618 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 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
SCHEMBL7830610 0.92 SLC10A2 (0.47) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7834035 0.92 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7813272 0.92 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL9563414 0.91 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8138537 0.91 SLC10A2 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7830548 0.91 SLC10A2 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL9563462 0.89 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7835953 0.89 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7812297 0.89 KMT2A (0.42) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7809634 0.88 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1

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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