SCHEMBL3670404

SCHEMBL3670404

CC(N)(N)c1ccc2ccccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HSD17B10 Q99714 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP2A6 P11509 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NCEH1 Q6PIU2 2/20 0.38
HPRT1 P00492 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 2/20 0.36

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
SCHEMBL11891515 0.84 POLB (0.50) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3199508 0.78 POLB (0.44) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3668886 0.77 HSD17B10 (0.42) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3670120 0.77 CYP2A6 (0.50) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3681420 0.75 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL16327190 0.74 PRNP (0.42) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3670399 0.73 ALDH1A1 (0.43) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL9138639 0.71 HSD17B10 (0.42) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL3208732 0.70 HPGD (0.41) POLBHSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL1913838 0.69 POLB (0.56) POLBHSD17B10ALDH1A1CYP2A6TSHR

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