SCHEMBL11141010

SCHEMBL11141010

Cc1ccccc1N=C(Nc1ccccc1C)Nc1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.71
GRIN2D O15399 7/20 0.69
GRIN3B O60391 7/20 0.69
GRIN1 Q05586 7/20 0.69
GRIN2A Q12879 7/20 0.69
GRIN2B Q13224 7/20 0.69
GRIN2C Q14957 7/20 0.69
GRIN3A Q8TCU5 7/20 0.69
MEN1 O00255 1/20 0.69
PABPC1 P11940 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
KMT2A Q03164 1/20 0.69
EBP Q15125 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL9819819 0.91 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7438015 0.83 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL169626 0.83 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16181163 0.83 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL3388414 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL158674 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL29364709 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Ditolylguanidine SCHEMBL80339 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4862672 0.81 HPGD (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10493754 0.81 SIGMAR1 (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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
US-20140329946-A1 RUBBER COMPOSITION AND MANUFACTURING METHOD FOR SAME BRIDGESTONE CORPORATION (JP) 2014-11-06 US disclosed
EP-2770022-A1 RUBBER COMPOSITION AND MANUFACTURING METHOD FOR SAME Bridgestone Corporation (JP) 2014-08-27 EP disclosed
EP-0088180-A1 N-phosphonomethylglycine derivatives Geshuri Laboratories Ltd. (IL) 1983-09-14 EP disclosed
US-4397676-A HERBICIDES GESHURI LABORATORIES LTD. (IL) 1983-08-09 US disclosed