SCHEMBL8780503

SCHEMBL8780503

Nc1c(Cl)cc(Cc2cc(Cl)c(N)c(Br)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
CYP3A4 P08684 2/20 0.45
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 1/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA3 P07451 1/20 0.32
PNMT P11086 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL4335488 0.84 CA1 (0.47) CA1CA2CA9CYP3A4GAA
SCHEMBL5981517 0.83 MAPT (0.55) CA1CA2CA9CYP3A4GAA
SCHEMBL940822 0.83 ALDH1A1 (0.55) CA1CA2CA9CYP3A4GAA
SCHEMBL3519402 0.83 CA1 (0.46) CA1CA2CA9CYP3A4GAA
SCHEMBL28765489 0.83 CA1 (0.46) CA1CA2CA9CYP3A4GAA
SCHEMBL3605101 0.73 CA1 (0.54) CA1CA2CA9CYP3A4GAA
SCHEMBL525650 0.73 CYP3A4 (0.65) CA1CA2CA9CYP3A4GAA
SCHEMBL9772902 0.73 CA1 (0.54) CA1CA2CA9CYP3A4GAA
SCHEMBL31050390 0.73 CA1 (0.54) CA1CA2CA9CYP3A4GAA
SCHEMBL6217810 0.73 CA1 (0.54) CA1CA2CA9CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477440-B1 Self-locking agent THREE BOND CO LTD (JP) 1997-12-03 EP disclosed
US-5352308-A Self-locking agent THREE BOND CO., LTD. (JP) 1994-10-04 US disclosed
US-5112989-A Process for producing unsaturated mono and dicarboxylic acid imide compound MATSUSHITA ELECTRIC WORKS LTD. (JP) 1992-05-12 US disclosed
EP-0477440-A1 Self-locking agent THREE BOND CO., LTD. (JP) 1992-04-01 EP disclosed
EP-0387381-A1 Process for producing unsaturated dicarboxylic acid imide compound MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1990-09-19 EP disclosed