SCHEMBL2174373

SCHEMBL2174373

Cc1nc2cc(Cl)c(Cl)cc2s1.Cc1nc2ccc(Br)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DYRK1A Q13627 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 2/20 0.44
APP P05067 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ILK Q13418 1/20 0.43

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
SCHEMBL29875298 0.88 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL33267 0.88 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL30423025 0.85 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8653076 0.85 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL202298 0.78 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL30181739 0.78 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Iodomethane SCHEMBL27623269 0.75 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL33264 0.74 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL141868 0.74 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL18791159 0.72 MMP1 (0.38) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP claimed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO claimed
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP disclosed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO disclosed