SCHEMBL28428982

SCHEMBL28428982

COC(=O)c1ccc(CC(C(N)=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 4/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ F9 P00740 2/20 0.45
▸ F10 P00742 2/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ HAT1 O14929 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CDK2 P24941 1/20 0.44

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
SCHEMBL28885915 0.80 NR4A2 (0.50) GPR84RAB9ANR4A2CREBBPMEN1
SCHEMBL17912674 0.78 NR4A2 (0.54) GPR84RAB9ANR4A2CREBBPMEN1
SCHEMBL10366074 0.78 MAPT (0.52) GPR84NR4A2CREBBPMEN1MAPT
SCHEMBL21383576 0.77 NR3C1 (0.58) GPR84RAB9ANR4A2CREBBPMEN1
SCHEMBL28435403 0.76 SRC (0.43) RAB9ANR4A2KMT2ASMN1; SMN2LOXL2
SCHEMBL1972827 0.76 GPR84 (0.59) GPR84MEN1MAPTPKMKMT2A
SCHEMBL2884867 0.74 GPR84 (0.74) GPR84RAB9ANR4A2CREBBPMEN1
SCHEMBL28375303 0.74 GPR84 (0.51) GPR84RAB9ANR4A2CREBBPMAPT
SCHEMBL30266453 0.74 MEN1 (0.48) MEN1MAPTPKMKMT2ACTSK
SCHEMBL4099306 0.74 HTR2A (0.54) GPR84NR4A2CREBBPMEN1MAPT

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-107149603-B Application of indole compounds and derivatives thereof in preparation of anti-influenza virus drugs 中国医学科学院药物研究所 2020-07-14 — — CN disclosed
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