SCHEMBL28513376

SCHEMBL28513376

CNc1ccnc(Oc2cccc3c2ccn3Cc2ccc3ccccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.35
▸ LOXL2 Q9Y4K0 3/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ HCRTR1 O43613 5/20 0.33
▸ HCRTR2 O43614 5/20 0.33
▸ PDE10A Q9Y233 2/20 0.32

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
Hydrochloric Acid SCHEMBL28515113 0.99 HTR6 (0.35) HTR6LOXL2TLR7HCRTR1HCRTR2
SCHEMBL18049297 0.84 LOXL2 (0.47) HTR6LOXL2
SCHEMBL28503690 0.83 HTR6 (0.51) HTR6LOXL2
Hydrochloric Acid SCHEMBL18049140 0.83 LOXL2 (0.46) HTR6LOXL2
SCHEMBL28514231 0.83 KCNH2 (0.36) HTR6LOXL2TLR7
Hydrochloric Acid SCHEMBL28905575 0.82 HTR6 (0.50) HTR6LOXL2
Hydrochloric Acid SCHEMBL28510677 0.82 KCNH2 (0.36) HTR6LOXL2TLR7
SCHEMBL28515086 0.74 LOXL2 (0.38) HTR6LOXL2
SCHEMBL28507674 0.74 LOXL2 (0.37) HTR6LOXL2
Hydrochloric Acid SCHEMBL28905577 0.74 LOXL2 (0.37) HTR6LOXL2

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
CN-107624110-B Lysyl oxidase-like 2 inhibitors and uses thereof 法玛克亚公司 2021-01-26 — — CN disclosed
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