SCHEMBL5773729

SCHEMBL5773729

C=CCNc1ccc(Oc2ccc(NCC=C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TGM2 P21980 1/20 0.44
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 6/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL31497252 0.92 TGM2 (0.56) CA12CA1CA2CA9TGM2
SCHEMBL99646 0.86 CA12 (0.65) CA12CA1CA2CA9GAA
SCHEMBL1364818 0.83 GAA (0.61) CA12CA1CA2CA9TGM2
SCHEMBL566192 0.82 CA12 (0.43) CA12CA1CA2CA9TGM2
SCHEMBL566211 0.82 CA1 (0.43) CA12CA1CA2CA9TGM2
SCHEMBL11493726 0.82 CA12 (0.51) CA12CA1CA2CA9GAA
SCHEMBL1585896 0.79 CA12 (0.59) CA12CA1CA2CA9GAA
SCHEMBL31497254 0.79 MAPT (0.51) CA12CA1CA2CA9GAA
Water SCHEMBL11215220 0.77 CA12 (0.57) CA12CA1CA2CA9GAA
SCHEMBL2297932 0.76 CA12 (0.55) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1659148-B1 REACTIVE FLAME RETARDANT AND FLAME-RETARDANT PROCESSED RESIN OBTAINED WITH THE SAME FUJI ELECTRIC CO LTD (JP) 2013-09-18 EP disclosed
EP-1659148-A1 REACTIVE FLAME RETARDANT AND FLAME-RETARDANT PROCESSED RESIN OBTAINED WITH THE SAME FUJI ELECTRIC HOLDINGS CO., LTD. (JP) 2006-05-24 EP disclosed