SCHEMBL11027264

SCHEMBL11027264

CCCCOC(=O)C(Br)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL8872516 0.86 SMN1; SMN2 (0.62) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8203981 0.82 L3MBTL1 (0.46) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6440708 0.82 GAA (0.45) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL75590 0.80 KMT2A (0.47) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL2417875 0.78 TSHR (0.53) SMN1; SMN2TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL27520395 0.78 MEN1 (0.44) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8192518 0.77 L3MBTL1 (0.46) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7545279 0.76 SMN1; SMN2 (0.43) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7552780 0.75 GAA (0.39) GAASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5086318 0.74 FAAH (0.45) GAASMN1; SMN2MEN1KMT2ATSHR

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