SCHEMBL11141003

SCHEMBL11141003

Cc1ccc(N=C(Nc2ccc(C)cc2)Nc2ccc(C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.66
GRIN3B O60391 1/20 0.66
GRIN1 Q05586 1/20 0.66
GRIN2A Q12879 1/20 0.66
GRIN2B Q13224 1/20 0.66
GRIN2C Q14957 1/20 0.66
GRIN3A Q8TCU5 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
PLAU P00749 2/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6305159 0.92 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6305161 0.92 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2740849 0.90 NPC1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8741840 0.90 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4109674 0.81 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4109679 0.81 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1273372 0.79 SIGMAR1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11767168 0.79 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8530232 0.79 GLA (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8530229 0.79 GLA (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-116462611-B Method for preparing polyarylguanidine by using diaryl hypervalent iodine reagent 天津科技大学 2024-06-21 CN disclosed
CN-116462611-A Method for preparing polyarylguanidine by using diaryl hypervalent iodine reagent 天津科技大学 2023-07-21 CN 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