SCHEMBL18840407

SCHEMBL18840407

Nc1c(C2CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
GPR35 Q9HC97 2/20 0.42
CUL4A Q13619 1/20 0.41
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLAU P00749 1/20 0.39
S100A4 P26447 1/20 0.38
PDE7A Q13946 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3253975 0.81 HSD17B10 (0.47) TDP1GPR35CUL4AKMT2AMAPT
SCHEMBL31525035 0.81 HSD17B10 (0.47) TDP1GPR35CUL4AKMT2AMAPT
SCHEMBL27973468 0.80 TDP1 (0.45) TDP1GPR35KMT2AMAPTMEN1
SCHEMBL27296357 0.79 TDP1 (0.46) TDP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL18184967 0.79 TDP1 (0.62) TDP1GPR35KMT2AMAPTMEN1
SCHEMBL28522110 0.79 TDP1 (0.44) TDP1GPR35KMT2AMAPTMEN1
SCHEMBL65199 0.78 TDP1 (0.61) TDP1GPR35KMT2AMAPTMEN1
SCHEMBL28189442 0.77 TDP1 (0.44) TDP1GPR35KMT2AMAPTMEN1
SCHEMBL18863544 0.76 TDP1 (0.41) TDP1GPR35KMT2AMAPTMEN1
SCHEMBL18863587 0.76 TDP1 (0.41) TDP1GPR35KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063283-B 3-Amino indazole compound and application thereof 暨南大学 2025-03-25 CN disclosed
CN-116063283-A 3-amino indazole compound and application thereof 暨南大学 2023-05-05 CN disclosed
CN-108348504-B Compound with HCV (hepatitis C Virus) inhibiting activity as well as preparation method and application thereof 江苏豪森药业集团有限公司 2021-06-29 CN disclosed
CN-108348504-A Compound with HCV (hepatitis C Virus) inhibiting activity as well as preparation method and application thereof 江苏豪森药业集团有限公司 2018-07-31 CN disclosed
WO-2017076194-A1 COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST HCV, PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-05-11 WO disclosed