SCHEMBL3670716

SCHEMBL3670716

NC(N)(F)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.58
TSHR P16473 3/20 0.58
ALDH1A1 P00352 1/20 0.58
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
PTPN1 P18031 1/20 0.44
KIF11 P52732 2/20 0.42
TAAR1 Q96RJ0 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL2158961 0.81 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL6253999 0.81 KCNN4 (0.58) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL9579980 0.77 KCNN4 (0.52) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL1436109 0.77 KCNN4 (0.52) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL4504071 0.77 KCNN4 (0.52) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL5709190 0.76 KCNN4 (0.46) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL15366 0.76 KCNN4 (0.69) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL1660723 0.75 KCNN4 (0.44) KCNN4TSHRALDH1A1CA1CA2
SCHEMBL8018923 0.75 KCNN4 (0.50) KCNN4TSHRALDH1A1CA1CA2
Iodide SCHEMBL31065844 0.75 KCNN4 (0.50) KCNN4TSHRALDH1A1CA1CA2

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