SCHEMBL29846597

SCHEMBL29846597

CC(C)(NC(=O)c1nccc2ccccc12)C1=NOC(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ FLT3 P36888 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ SSTR4 P31391 2/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ CNR2 P34972 2/20 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
SCHEMBL29846602 0.79 RAB9A (0.47) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846785 0.78 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846515 0.76 CCR1 (0.49) RAB9AMEN1TP53MAPTTSHR
SCHEMBL25402963 0.75 RAB9A (0.43) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846437 0.72 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846570 0.72 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL28585340 0.71 RAB9A (0.55) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29847033 0.70 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846742 0.70 RAB9A (0.46) RAB9AMEN1TP53MAPTTSHR
SCHEMBL29846932 0.70 RAB9A (0.45) RAB9AMEN1TP53MAPTTSHR

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
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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