SCHEMBL3673588

SCHEMBL3673588

Cc1c(N)c(N)c2ccccc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
ACHE P22303 3/20 0.35
CYP1A2 P05177 5/20 0.35
CYP2A6 P11509 3/20 0.35
HSD17B10 Q99714 3/20 0.33
TSHR P16473 3/20 0.33
MAOA P21397 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
EP300 Q09472 1/20 0.33
CYP3A4 P08684 1/20 0.33
PIK3CA P42336 1/20 0.33
GLA P06280 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL28671657 0.80 CYP1A2 (0.45) ALDH1A1MAPTACHECYP1A2CYP2A6
SCHEMBL5251516 0.78 ACHE (0.39) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL3679087 0.78 ACHE (0.39) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL31180772 0.78 ACHE (0.39) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL11476797 0.78 CYP1A2 (0.39) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL31238921 0.78 CYP1A2 (0.39) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL24332805 0.75 CYP1A2 (0.41) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL10692356 0.75 CYP1A2 (0.45) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL538480 0.75 CYP1A2 (0.45) ALDH1A1MAPTGAAACHECYP1A2
SCHEMBL30148931 0.75 CYP1A2 (0.45) ALDH1A1MAPTGAAACHECYP1A2

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