SCHEMBL3678466

SCHEMBL3678466

CCc1c(CC)c(N)c2c(N)cccc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 1/20 0.34
KEAP1 Q14145 2/20 0.31
CD44 P16070 1/20 0.31
DHFR P00374 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.30
ATM Q13315 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL3676170 0.81 ALDH1A1 (0.37) NR4A2KDM4EALDH1A1HPGDCYP3A4
SCHEMBL3674645 0.79 ALDH1A1 (0.35) KDM4EALDH1A1HPGDCYP3A4TSHR
SCHEMBL3675004 0.73 ALDH1A1 (0.45) NR4A2KDM4EALDH1A1HPGDCYP3A4
SCHEMBL3670118 0.71 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3678465 0.70 NR4A2 (0.38) NR4A2KDM4EALDH1A1LMNAGAA
SCHEMBL434493 0.68 CYP3A4 (0.48) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL3791097 0.67 ALDH1A1 (0.52) NR4A2KDM4EALDH1A1CYP3A4TSHR
SCHEMBL29701394 0.67 ALDH1A1 (0.52) NR4A2KDM4EALDH1A1CYP3A4TSHR
SCHEMBL27295928 0.66 PARP1 (0.37) KDM4EALDH1A1HPGDCYP3A4TSHR
SCHEMBL5750973 0.66 HTR2A (0.48) KDM4EALDH1A1HPGDCYP3A4TSHR

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