SCHEMBL19038540

SCHEMBL19038540

NC(N)=N/C(N)=N\c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.68
SLC22A1 O15245 1/20 0.68
SLC22A3 O75751 1/20 0.68
PLAU P00749 1/20 0.68
GAA P10253 1/20 0.67
HTR3E A5X5Y0 10/20 0.64
HTR3B O95264 10/20 0.64
HTR3A P46098 10/20 0.64
HTR3D Q70Z44 10/20 0.64
HTR3C Q8WXA8 10/20 0.64
LMNA P02545 2/20 0.63
CYP1A2 P05177 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
NOS3 P29474 2/20 0.59
NOS1 P29475 2/20 0.59
ITGB3 P05106 4/20 0.58
ITGAV P06756 4/20 0.58

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
Hydrochloric Acid SCHEMBL27942258 0.98 SLC22A2 (0.65) SLC22A2SLC22A1SLC22A3PLAUGAA
SCHEMBL7811970 0.81 SLC22A2 (1.00) SLC22A2SLC22A1SLC22A3PLAUHTR3E
Hydrochloric Acid SCHEMBL9957964 0.79 SLC22A2 (0.95) SLC22A2SLC22A1SLC22A3PLAUHTR3E
4-Chlorophenylbiguanide SCHEMBL19038548 0.78 HTR3E (1.00) SLC22A2SLC22A1SLC22A3PLAUGAA
SCHEMBL19038561 0.78 HTR3E (1.00) SLC22A2SLC22A1SLC22A3PLAUGAA
4-Chlorophenylbiguanide SCHEMBL30764857 0.78 HTR3E (1.00) SLC22A2SLC22A1SLC22A3PLAUGAA
SCHEMBL19038557 0.78 HTR3E (0.71) SLC22A2SLC22A1SLC22A3PLAUGAA
Phenyl Biguanide SCHEMBL30226327 0.77 HTR3E (1.00) SLC22A2SLC22A1SLC22A3PLAUGAA
Phenyl Biguanide SCHEMBL19038542 0.77 HTR3E (1.00) SLC22A2SLC22A1SLC22A3PLAUGAA
Methylamine SCHEMBL11079804 0.77 SLC22A2 (0.91) SLC22A2SLC22A1SLC22A3PLAUHTR3E

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-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
US-20180081266-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 US disclosed
US-20180081267-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 US disclosed
US-20170184962-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-29 US disclosed