SCHEMBL28391996

SCHEMBL28391996

O=c1c(O)ccnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NPBWR1 P48145 3/20 0.49
MCHR1 Q99705 1/20 0.49
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
PAX8 Q06710 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MITF O75030 1/20 0.47
S1PR4 O95977 1/20 0.47
THRB P10828 1/20 0.47
XBP1 P17861 1/20 0.47
S1PR1 P21453 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
CYP2C9 P11712 4/20 0.44

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
SCHEMBL5717721 0.78 MAPT (0.47) POLBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2511848 0.77 POLB (0.60) POLBNPBWR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10446383 0.77 RAB9A (0.61) POLBNPBWR1MCHR1RAB9ASMN1; SMN2
SCHEMBL10941265 0.77 RAB9A (0.61) POLBNPBWR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5579308 0.75 POLB (0.57) POLBRAB9ANPC1NPSR1LMNA
SCHEMBL5189021 0.75 RIPK2 (0.55) POLBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL30785500 0.74 ALDH1A1 (0.48) POLBNPBWR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27158336 0.74 ALDH1A1 (0.43) POLBNPBWR1MCHR1RAB9ASMN1; SMN2
SCHEMBL9918817 0.73 ALDH1A1 (0.51) NPBWR1MCHR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1750832 0.73 RAB9A (0.70) POLBNPBWR1MCHR1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111117044-A Low-fluoride escape irradiation crosslinking polyethylene-tetrafluoroethylene copolymer insulating material and preparation method thereof 中广核三角洲(江苏)塑化有限公司 2020-05-08 CN claimed
CN-111117044-A Low-fluoride escape irradiation crosslinking polyethylene-tetrafluoroethylene copolymer insulating material and preparation method thereof 中广核三角洲(江苏)塑化有限公司 2020-05-08 CN disclosed
CN-111117044-A Low-fluoride escape irradiation crosslinking polyethylene-tetrafluoroethylene copolymer insulating material and preparation method thereof 中广核三角洲(江苏)塑化有限公司 2020-05-08 CN disclosed