SCHEMBL11029109

SCHEMBL11029109

CCN(CC)C(=O)Cc1cccc(Br)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TSPO P30536 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5083791 0.86 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL29049638 0.77 GABRA1 (0.45) CYP3A4GABRA1GABRB2POLBMEN1
SCHEMBL2420372 0.77 PKM (0.47) GABRA1GABRB2TDP1KMT2AALDH1A1
SCHEMBL2875381 0.74 AKR1B1 (0.52) CYP1A2CYP2C19GABRA1GABRB2HPGD
SCHEMBL29944951 0.74 AKR1B1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL2550830 0.74 AKR1B1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL2403346 0.73 GABRA1 (0.76) CYP1A2CYP2D6CYP2C19GABRA1GABRB2
SCHEMBL31607049 0.73 HSD17B10 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL10483799 0.73 POLB (0.64) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL11028284 0.73 GABRA1 (0.40) GABRA1GABRB2TDP1KMT2AALDH1A1

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-0044119-B1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH AT LEAST ONE OTHER 1-ALKENE STAMICARBON B.V. (NL) 1985-05-29 EP disclosed
US-4435552-A COORDINATION CATALYST CONTAINING HALOACYL COMPOUND STAMICARBON B.V. (NL) 1984-03-06 US disclosed
EP-0044119-A2 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-20 EP disclosed