SCHEMBL5808245

SCHEMBL5808245

CCn1c2ccccc2c2cc(NCC(=Cc3ccc(C(=O)NO)cc3)CCOc3cccc4ccccc34)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
MAPT P10636 13/20 0.44
MEN1 O00255 10/20 0.44
KMT2A Q03164 10/20 0.44
HPGD P15428 9/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
ALDH1A1 P00352 7/20 0.44
POLB P06746 5/20 0.44
RCE1 Q9Y256 1/20 0.44
KDM4E B2RXH2 10/20 0.43
LMNA P02545 8/20 0.43
HCRTR1 O43613 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
GCGR P47871 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL5808242 1.00 P2RX3 (0.45) P2RX3MAPTMEN1KMT2AHPGD
SCHEMBL5808415 0.92 MAPT (0.43) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL5795610 0.83 P2RX3 (0.51) P2RX3MAPTMEN1KMT2AHPGD
SCHEMBL5795607 0.83 P2RX3 (0.51) P2RX3MAPTMEN1KMT2AHPGD
SCHEMBL5807017 0.83 P2RX3 (0.47) P2RX3MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL5807019 0.83 P2RX3 (0.47) P2RX3MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL5797861 0.82 P2RX3 (0.46) P2RX3MAPTMEN1KMT2AALDH1A1
SCHEMBL5797858 0.82 P2RX3 (0.46) P2RX3MAPTMEN1KMT2AALDH1A1
SCHEMBL5807110 0.82 P2RX3 (0.49) P2RX3MAPTMEN1KMT2AHPGD
SCHEMBL5807117 0.82 P2RX3 (0.49) P2RX3MAPTMEN1KMT2AHPGD

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO claimed