SCHEMBL9724796

SCHEMBL9724796

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.52
HDAC3 O15379 11/20 0.49
HDAC2 Q92769 9/20 0.49
MAPK1 P28482 1/20 0.49
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NCOR2 Q9Y618 5/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9724959 0.83 GAA (0.55) NPC1RAB9AL3MBTL1POLB
SCHEMBL9724971 0.82 KCNQ2 (0.54) MAPK1NPC1RAB9APOLB
SCHEMBL9724871 0.79 MME (0.57) MAPK1
SCHEMBL9724808 0.79 MEN1 (0.53) MAPK1NPC1RAB9APOLB
SCHEMBL9724923 0.79 RAB9A (0.50) HDAC1MAPK1NPC1RAB9A
SCHEMBL9724825 0.78 TSHR (0.55) NPC1RAB9A
SCHEMBL9724786 0.75 DDX3X (0.51) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL9724829 0.74 BACE1 (0.54) MAPK1NPC1RAB9A
SCHEMBL9724978 0.73 KMT2A (0.52) NPC1RAB9A
SCHEMBL9724833 0.73 LMNA (0.54) NPC1RAB9APOLB

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
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed