SCHEMBL28567359

SCHEMBL28567359

CC1CCc2ccccc2N1c1nc(-c2ccccc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NOTUM Q6P988 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL28571861 0.92 ALDH1A1 (0.45) RAB9ANPC1TSHRNPSR1ALDH1A1
SCHEMBL28570400 0.91 RAB9A (0.43) RAB9ANPC1RXRARXRBRXRG
SCHEMBL28913498 0.88 GRM5 (0.40) RAB9ANPC1RXRARXRBRXRG
SCHEMBL28570091 0.86 TUBB4A (0.43) RAB9ANPC1RXRARXRBRXRG
SCHEMBL28570311 0.85 RXRA (0.39) RAB9ANPC1RXRARXRBRXRG
SCHEMBL28567415 0.84 MAPT (0.52) RAB9ANPC1HPGDTSHRNPSR1
SCHEMBL28563782 0.79 HCRTR1 (0.43) RAB9ANPC1RXRARXRBRXRG
SCHEMBL28573112 0.74 HDAC1 (0.46)
SCHEMBL28564284 0.73 MAPT (0.52) RAB9ANPC1HPGDTSHRNPSR1
SCHEMBL28253538 0.73 ROCK1 (0.45) RAB9ANR1H4HPGDTSHRNPSR1

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-108794460-B 1,2, 4-oxadiazole-3, 4-dihydroquinoline compound and preparation method and application thereof 贵州医科大学 2021-05-28 CN disclosed