SCHEMBL8949430

SCHEMBL8949430

CC(C)(NC(=O)CCCl)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPK1 P28482 1/20 0.40
MIF P14174 1/20 0.40
MAPT P10636 2/20 0.39
GSK3B P49841 1/20 0.39
B3GNT2 Q9NY97 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8949311 0.90 NPC1 (0.44) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8447174 0.90 L3MBTL1 (0.46) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8949485 0.89 NPC1 (0.43) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8743677 0.86 POLB (0.46) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8446802 0.84 ALDH1A1 (0.55) POLBL3MBTL1MEN1KMT2ANPC1
SCHEMBL8443619 0.83 L3MBTL1 (0.49) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8446189 0.81 ALDH1A1 (0.50) POLBL3MBTL1NPC1SMN1; SMN2CNR1
SCHEMBL8949435 0.80 HDAC1 (0.45) POLBL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL23886143 0.78 TP53 (0.51) POLBL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL8390808 0.77 POLB (0.50) POLBL3MBTL1MEN1KMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed