SCHEMBL28164766

SCHEMBL28164766

NCc1cccc(-c2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.46
▸ LOXL2 Q9Y4K0 6/20 0.43
▸ KARS1 Q15046 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ LOX P28300 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ LOXL3 P58215 1/20 0.41
▸ PNMT P11086 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 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
SCHEMBL9454674 0.83 HPGDS (0.46) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL9863754 0.83 HPGDS (0.46) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL12648428 0.83 NOTUM (0.50) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL1804513 0.83 PRKCI (0.53) HPGDSLTA4HCDK8ADORA2AADORA1
SCHEMBL27594199 0.82 LTA4H (0.50) HPGDSLOXL2LTA4HLOXADRB2
SCHEMBL9507339 0.82 HPGDS (0.53) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL3964365 0.82 HPGDS (0.58) HPGDSLTA4HCDK8
SCHEMBL6221648 0.81 HPGDS (0.44) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL14983820 0.80 HPGDS (0.43) HPGDSLTA4HADORA2AADORA1HCRTR1
SCHEMBL16383003 0.80 HPGDS (0.43) HPGDSLTA4HADORA2AADORA1HCRTR1

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
CN-107105655-A Probe for being imaged Huntington protein CHDI基金会股份有限公司 2017-08-29 — — CN claimed
CN-107105655-A Probe for being imaged Huntington protein CHDI基金会股份有限公司 2017-08-29 — — CN disclosed
CN-107108534-A Probes for Imaging Huntingtin CHDI基金会股份有限公司 2017-08-29 — — CN disclosed
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