SCHEMBL28617217

SCHEMBL28617217

ClCCc1ccc2oc(CBr)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
F10 P00742 1/20 0.37
FFAR1 O14842 3/20 0.35
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA3 P07451 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA5A P35218 2/20 0.33
CA1 P00915 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP19A1 P11511 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL123488 0.75 CYP19A1 (0.51) CA12CA2CA9CA1CYP19A1
SCHEMBL566240 0.75 F2 (0.38) F2F10FFAR1LMNATP53
SCHEMBL16376504 0.73 CYP19A1 (0.53) CA12CA2CA9CA1CYP19A1
SCHEMBL28117254 0.72 LMNA (0.40) F2F10FFAR1CA12CA2
SCHEMBL123183 0.72 CA12 (0.42) F2F10CA12CA2CA9
SCHEMBL3617999 0.72 APP (0.38) F2F10LOXL2CYP19A1
SCHEMBL11886576 0.72 MAOB (0.49) CA12CA2CA4CA6CA7
SCHEMBL12038075 0.70 F2 (0.44) F2F10FFAR1CA12CA2
SCHEMBL4094050 0.69 F2 (0.36) F2F10LOXL2CYP19A1
SCHEMBL693536 0.69 PKM (0.33) F2F10CA12CA2CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed