SCHEMBL9503695

SCHEMBL9503695

CN(C)c1ccc(C(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
UTS2R Q9UKP6 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GSK3B P49841 1/20 0.43
GABBR2 O75899 2/20 0.43
GABBR1 Q9UBS5 2/20 0.43
LMNA P02545 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
SCHEMBL9505825 0.86 ALDH1A1 (0.49) POLBALDH1A1L3MBTL1KMT2AGAA
SCHEMBL9506718 0.85 POLB (0.49) POLBALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL9503986 0.85 KMT2A (0.56) POLBALDH1A1L3MBTL1KMT2AGAA
SCHEMBL9505856 0.84 L3MBTL1 (0.63) POLBALDH1A1L3MBTL1KMT2AGAA
SCHEMBL9507663 0.84 KMO (0.51) ALDH1A1L3MBTL1GAA
SCHEMBL9503965 0.82 L3MBTL1 (0.69) ALDH1A1TDP1L3MBTL1CYP2C19KMT2A
SCHEMBL10253260 0.81 CYP2C9 (0.65) POLBL3MBTL1CYP2C9CYP2C19KMT2A
SCHEMBL28731474 0.79 L3MBTL1 (0.64) POLBL3MBTL1CYP2C9CYP2C19KMT2A
SCHEMBL9839770 0.78 ALDH1A1 (0.54) POLBALDH1A1TDP1UTS2RL3MBTL1
SCHEMBL10252945 0.78 POLB (0.68) POLBL3MBTL1CYP2C9CYP2C19KMT2A

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