SCHEMBL7835405

SCHEMBL7835405

COc1cc2nc(CSc3nccn3C)c(C(=O)O)c(-c3ccc(C)cc3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ L3MBTL1 Q9Y468 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
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.39

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
SCHEMBL7831681 0.93 NPC1 (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7834035 0.92 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7821036 0.91 MAPT (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7835953 0.89 ALDH1A1 (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7821006 0.86 ALDH1A1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7813272 0.85 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7821104 0.85 NPC1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9563431 0.84 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7830610 0.84 SLC10A2 (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7812297 0.84 KMT2A (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1

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-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 — — EP claimed
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