SCHEMBL3670402

SCHEMBL3670402

CCc1c(N)c(N)c2ccccc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTSB P07858 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 2/20 0.32
EP300 Q09472 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
GLA P06280 1/20 0.30
CHRM2 P08172 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
SCHEMBL3670998 0.81 ACHE (0.35) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL4645711 0.76 GABRA1 (0.42) GABRA1GABRB2KDM4EALDH1A1HPGD
SCHEMBL5751135 0.76 ACHE (0.43) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL3668885 0.76 KDM4E (0.33) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL3670118 0.76 KDM4E (0.37) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL15213457 0.74 ACHE (0.37) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL23444303 0.73 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL11765896 0.72 ACHE (0.35) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL3670213 0.72 CTSB (0.39) KDM4EALDH1A1HPGDGAAHTT
SCHEMBL3674644 0.72 HKDC1 (0.39) GABRA1GABRB2KDM4EALDH1A1HKDC1

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