SCHEMBL30740258

SCHEMBL30740258

Cc1ccccc1-c1cccc(-c2ncco2)c1C.[N]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGDS O60760 1/20 0.38
LTA4H P09960 1/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ADRA1A P35348 4/20 0.36
ADRA1D P25100 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL9510722 0.86 BRD4 (0.43) BRD4NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29377827 0.86 BRD4 (0.43) BRD4NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL3031254 0.86 RAB9A (0.53) BRD4NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL31546532 0.77 NOS3 (0.41) BRD4NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL9507232 0.77 BRD4 (0.41) BRD4NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL22797006 0.77 BRD4 (0.41) BRD4HPGDSLTA4HEDNRBEDNRA
SCHEMBL1919495 0.76 HPGDS (0.52) BRD4HPGDSLTA4HEDNRBEDNRA
SCHEMBL20155994 0.74 CTSA (0.44) BRD4NPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL18367710 0.74 BRD4 (0.39) BRD4HPGDSLTA4HEDNRBEDNRA
SCHEMBL2272323 0.74 BRD4 (0.42) BRD4HPGDSLTA4HEDNRBEDNRA

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-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed