SCHEMBL17080107

SCHEMBL17080107

O=C1C(c2ccccc2C2CC2)CCN1c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.46
FPR1 P21462 1/20 0.46
ROCK2 O75116 8/20 0.46
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL17079984 0.81 ROCK2 (0.45) FPR2FPR1ROCK2
SCHEMBL17079989 0.81 ROCK2 (0.59) FPR2FPR1ROCK2HDAC1HDAC8
SCHEMBL17079979 0.80 ROCK2 (0.51) FPR2FPR1ROCK2MEN1KMT2A
SCHEMBL17080030 0.76 ROCK2 (0.39) ROCK2CA12CA1CA2CA9
SCHEMBL17080091 0.74 FPR2 (0.50) FPR2FPR1ROCK2HDAC6MEN1
SCHEMBL17080094 0.74 MAPT (0.43) FPR2FPR1ROCK2MEN1KMT2A
SCHEMBL17080055 0.73 ROCK2 (0.46) FPR2FPR1ROCK2
SCHEMBL16468325 0.72 ROCK2 (0.48) FPR2FPR1ROCK2HDAC1HDAC8
SCHEMBL17080069 0.71 ROCK2 (0.46) FPR2FPR1ROCK2
SCHEMBL17080007 0.71 ROCK2 (0.49) FPR2FPR1ROCK2MEN1KMT2A

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-3116877-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-01-18 EP disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed