SCHEMBL3671013

SCHEMBL3671013

Cc1ccc(C(F)(CN)CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 1/20 0.44
KIF11 P52732 6/20 0.42
MLYCD O95822 1/20 0.42
TAAR1 Q96RJ0 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
ACHE P22303 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 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
SCHEMBL8257138 0.81 CA1 (0.47) CA2CA1CA5ACA9TSHR
SCHEMBL3676582 0.75 TAAR1 (0.52) CA2CA1CA5ACA9TSHR
SCHEMBL6060758 0.75 TSHR (0.48) CA2CA1CA5ACA9TSHR
SCHEMBL3671335 0.73 TSHR (0.46) CA2CA1CA5ACA9TSHR
SCHEMBL8350486 0.73 TAAR1 (0.62) CA2CA1CA5ACA9TSHR
SCHEMBL23571134 0.72 CA2 (0.52) CA2CA1CA5ACA9TSHR
SCHEMBL13347134 0.72 TSHR (0.50) CA2CA1CA5ACA9TSHR
SCHEMBL11358160 0.72 TSHR (0.50) CA2CA1CA5ACA9TSHR
SCHEMBL275315 0.72 ESR1 (0.56) CA2CA1CA5ACA9TSHR
SCHEMBL3668727 0.72 CA2 (0.52) CA2CA1CA5ACA9TSHR

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-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed