SCHEMBL3676581

SCHEMBL3676581

Cc1c(CN)cc(F)cc1CN

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
IDO1 P14902 2/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL18588928 0.88 LOXL2 (0.33) MPOLOXL2IDO1TAAR1
Hydrochloric Acid SCHEMBL29167973 0.86 IDO1 (0.34) MPOLOXL2IDO1
Hydrochloric Acid SCHEMBL30368372 0.86 IDO1 (0.34) MPOLOXL2IDO1
SCHEMBL30937548 0.77 ALDH1A1 (0.37) MPOLOXL2
SCHEMBL63046 0.76 LOXL2 (0.33) LOXL2
SCHEMBL11436471 0.76 ALDH1A1 (0.43) LOXL2
SCHEMBL3176620 0.75 PTGS1 (0.42) MPO
SCHEMBL3667293 0.74 PNMT (0.37) IDO1TAAR1
SCHEMBL3673507 0.74 CYP2A6 (0.35) IDO1
SCHEMBL13083063 0.73 LOXL2 (0.33) LOXL2

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