SCHEMBL3675004

SCHEMBL3675004

Cc1c(C)c(N)c2c(N)cccc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 4/20 0.43
CYP3A4 P08684 4/20 0.43
PIK3CA P42336 1/20 0.43
NR4A2 P43354 3/20 0.41
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CD44 P16070 1/20 0.39
KEAP1 Q14145 2/20 0.34
KDM4E B2RXH2 3/20 0.33
NSD2 O96028 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP6 P55212 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 2/20 0.33
ELANE P08246 1/20 0.31

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
SCHEMBL3672181 0.77 CYP3A4 (0.43) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL3674306 0.77 CYP3A4 (0.43) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL8197963 0.74 CYP3A4 (0.48) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL3678466 0.73 NR4A2 (0.37) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL12774939 0.72 CYP3A4 (0.57) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL28671657 0.69 CYP1A2 (0.45) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL5250629 0.68 KDM4E (0.47) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL8878281 0.68 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL3673588 0.67 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4PIK3CANR4A2
SCHEMBL3675001 0.67 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4PIK3CANR4A2

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