SCHEMBL11028286

SCHEMBL11028286

O=C(Cl)C(Br)(Br)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
TSHR P16473 4/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNN4 O15554 4/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PTPN1 P18031 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
SCHEMBL6333756 0.79 CYP1A2 (0.54) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL27651968 0.78 CYP1A2 (0.54) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL976610 0.77 CYP1A2 (0.52) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL28464151 0.77 CYP1A2 (0.52) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL1321231 0.75 CYP1A2 (0.70) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL3086830 0.75 CYP1A2 (0.56) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL28069521 0.75 CYP1A2 (0.50) CYP1A2TSHRMAPTKMT2AKCNN4
SCHEMBL8164672 0.75 CYP1A2 (0.45) CYP1A2TSHRMAPTKMT2ANPSR1
SCHEMBL2395807 0.74 OPRM1 (0.41) CYP1A2TSHRKMT2ANPSR1CYP2C19
SCHEMBL247104 0.73 CYP1A2 (0.48) CYP1A2TSHRMAPTKMT2AKCNN4

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