SCHEMBL7835953

SCHEMBL7835953

CCOc1cc2nc(CSc3nccn3C)c(C(=O)O)c(-c3ccc(OC)c(OC)c3)c2cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HIF1A Q16665 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 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 0.97 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL7830548 0.92 SLC10A2 (0.46) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL7830610 0.90 SLC10A2 (0.47) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL7813272 0.90 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL9563431 0.89 SMN1; SMN2 (0.46) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL7835405 0.89 NPC1 (0.41) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL7831681 0.89 NPC1 (0.47) ALDH1A1LMNAKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL8138537 0.89 SLC10A2 (0.46) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL7812297 0.88 KMT2A (0.42) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL9563414 0.87 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AKDM4EMEN1

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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