SCHEMBL28929263

SCHEMBL28929263

CCCCCC(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HDAC1 Q13547 10/20 0.60
HDAC3 O15379 6/20 0.60
HDAC2 Q92769 6/20 0.60
HDAC8 Q9BY41 7/20 0.56
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.50
CCKBR P32239 1/20 0.50

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
SCHEMBL8015974 0.90 HDAC1 (0.60) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL19997327 0.90 HDAC1 (0.60) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL6635555 0.86 HDAC1 (0.65) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL29779165 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HDAC1MEN1KMT2APOLB
SCHEMBL3225319 0.82 HDAC1 (0.53) NPC1RAB9AHDAC1HDAC3HDAC2
SCHEMBL5696563 0.82 POLB (0.61) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL8140115 0.81 CYP1A2 (0.59) NPC1RAB9AHDAC1HDAC3HDAC2
SCHEMBL1343140 0.80 NAAA (0.61) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL21615871 0.80 NAAA (0.61) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL12065064 0.80 SMN1; SMN2 (0.67) NPC1LMNARAB9ASMN1; SMN2HDAC1

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-115557849-A Method for synthesizing imide compound under induction of NBS and water by visible light 西南大学 2023-01-03 CN disclosed