SCHEMBL9505840

SCHEMBL9505840

CCN(CC)c1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
CNR2 P34972 6/20 0.59
ATM Q13315 1/20 0.56
HSD11B1 P28845 1/20 0.52
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
PTPN1 P18031 2/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESRRG P62508 1/20 0.46

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
SCHEMBL9506718 0.85 POLB (0.49) L3MBTL1CNR2HSD11B1KMT2ATSHR
SCHEMBL9505856 0.84 L3MBTL1 (0.63) L3MBTL1CNR2ATMMEN1NPC1
SCHEMBL8431654 0.83 L3MBTL1 (0.74) L3MBTL1ATMMEN1NPC1KMT2A
SCHEMBL21749659 0.82 HSD11B1 (0.47) L3MBTL1CNR2ATMHSD11B1MEN1
SCHEMBL9066674 0.80 ATM (0.74) L3MBTL1ATMMEN1NPC1KMT2A
SCHEMBL9839756 0.77 HSD11B1 (0.51) L3MBTL1CNR2HSD11B1MEN1NPC1
SCHEMBL28114650 0.77 ATM (0.66) L3MBTL1ATMMEN1NPC1KMT2A
SCHEMBL12158645 0.77 ATM (0.66) L3MBTL1ATMMEN1NPC1KMT2A
SCHEMBL2581702 0.77 ATM (0.66) L3MBTL1ATMMEN1NPC1KMT2A
SCHEMBL10319749 0.77 CNR2 (0.61) L3MBTL1CNR2HSD11B1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed