SCHEMBL5772260

SCHEMBL5772260

C=CCNc1ccc(C(C)(C)c2ccc(NCC=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.40
NR3C2 P08235 3/20 0.39
PTPN11 Q06124 1/20 0.38
CYP3A4 P08684 2/20 0.37
ESR1 P03372 1/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL16641018 1.00 CA1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL565833 0.83 CA12 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL565156 0.83 CA12 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL99646 0.82 CA12 (0.65) CA1CA2CA12CA9ALDH1A1
SCHEMBL31497276 0.80 TGM2 (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL170694 0.77 MAPT (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL6029585 0.77 CA12 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL11801977 0.77 CA12 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL1585896 0.76 CA12 (0.59) CA1CA2CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL2860867 0.75 MAPT (0.54) CA1CA2CA12CA9ALDH1A1

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