SCHEMBL8024885

SCHEMBL8024885

Br[Ti](Br)(Br)C1C=Cc2cc(-c3ccccc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ATM Q13315 2/20 0.34
MGLL Q99685 2/20 0.34
HSP90AA1 P07900 2/20 0.34
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.34
MAOA P21397 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KDM1B Q8NB78 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL8040768 0.83 HTT (0.34) CA12CA9HTTALDH1A1ATM
SCHEMBL8678223 0.77 MAPT (0.38) HTTALDH1A1ATMMGLLHSP90AA1
SCHEMBL8036415 0.74 MAOA (0.36) CA12CA9HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL8040766 0.72 MAOA (0.35) CA12CA9HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7615083 0.72 MAOA (0.35) CA12CA9HTTALDH1A1ATM
Bromide SCHEMBL8024880 0.72 MAOA (0.35) CA12CA9HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7632616 0.72 KDM1A (0.37) CA12CA9HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7632622 0.72 MAOA (0.35) CA12CA9HTTALDH1A1ATM
SCHEMBL7632627 0.70 CA12 (0.36) CA12CA9HTTALDH1A1ATM
SCHEMBL7615091 0.70 CA12 (0.33) CA12CA9HTTALDH1A1ATM

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-0796875-B1 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM SPA (IT) 2000-03-29 EP disclosed
US-5721327-A Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.P.A. (IT) 1998-02-24 US disclosed
EP-0796875-A2 Process for the preparation of crystalline vinylaromatic polymers with a predominant syndiotactic structure ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed