SCHEMBL5775239

SCHEMBL5775239

C=CCNc1ccc2cc(NCC=C)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DHFR P00374 2/20 0.37
CASR P41180 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL7591023 0.92 ALDH1A1 (0.62) CA12CA1CA2CA9CYP1A2
SCHEMBL10429544 0.83 MEN1 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL99646 0.83 CA12 (0.65) CA12CA1CA2CA9CYP1A2
SCHEMBL14519382 0.82 KDM4E (0.43) CA12CA1CA2CA9CYP1A2
SCHEMBL20593828 0.79 CA12 (0.42) CA12CA1CA2CA9CYP1A2
SCHEMBL728274 0.79 CA12 (0.47) CA12CA1CA2CA9CYP1A2
SCHEMBL7587842 0.78 ALDH1A1 (0.43) CA12CA1CA2CA9CYP1A2
SCHEMBL1772426 0.78 ACHE (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL2578196 0.78 CYP2A6 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL23904484 0.77 CA12 (0.46) CA12CA1CA2CA9CYP1A2

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