SCHEMBL3674645

SCHEMBL3674645

CCc1c(CC)c(N)c2c(N)cccc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 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
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PARP1 P09874 1/20 0.34
AXL P30530 1/20 0.32
KEAP1 Q14145 2/20 0.31
CD44 P16070 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 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

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) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL3678466 0.79 NR4A2 (0.37) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL3674306 0.73 CYP3A4 (0.43) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL3670402 0.71 GABRA1 (0.35) ALDH1A1HPGDHSD17B10TDP1GABRA1
SCHEMBL3674644 0.70 HKDC1 (0.39) ALDH1A1GABRA1GABRB2HKDC1KDM4E
SCHEMBL434493 0.68 CYP3A4 (0.48) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL6204770 0.67 GABRA1 (0.39) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL27295928 0.66 PARP1 (0.37) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL5750973 0.66 HTR2A (0.48) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL9404226 0.64 ALDH1A1 (0.42) ALDH1A1HPGDCYP3A4TSHRHSD17B10

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