SCHEMBL29957673

SCHEMBL29957673

NC(N)=NCCCC(NC(=O)C(N)CS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
APEX1 P27695 1/20 0.57
CYP2C19 P33261 1/20 0.57
NOS2 P35228 1/20 0.57
CPN1 P15169 1/20 0.56
CPB2 Q96IY4 1/20 0.56
C3AR1 Q16581 7/20 0.53
CA2 P00918 2/20 0.49
NPY1R P25929 2/20 0.48
NPY2R P49146 1/20 0.48
NPY4R P50391 1/20 0.48
PDF Q9HBH1 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM1 P11229 2/20 0.48
EPHX2 P34913 1/20 0.46

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
SCHEMBL1735525 0.91 CYP2C19 (0.65) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL27898034 0.91 CYP2C19 (0.65) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL28409679 0.88 CYP1A2 (0.61) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL29356389 0.88 CYP1A2 (0.61) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL30391184 0.88 CYP1A2 (0.61) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL30114897 0.88 CYP1A2 (0.57) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL29603738 0.88 CYP1A2 (0.61) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL31110300 0.86 C3AR1 (0.54) CYP1A2GLATSHRNFKB1APEX1
SCHEMBL31110298 0.86 C3AR1 (0.54) CYP1A2GLATSHRNFKB1APEX1
Hydrochloric Acid SCHEMBL1880117 0.86 CYP1A2 (0.58) CYP1A2GLATSHRNFKB1APEX1

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-117679390-A Cysteine-arginine modified gold nanoparticle and preparation method and application thereof 中国科学院昆明动物研究所 2024-03-12 CN claimed
CN-115121260-A Nano gold-cuprous oxide heterojunction and preparation method and application thereof 武汉理工大学 2022-09-30 CN claimed
CN-117679390-A Cysteine-arginine modified gold nanoparticle and preparation method and application thereof 中国科学院昆明动物研究所 2024-03-12 CN disclosed
CN-117679390-A Cysteine-arginine modified gold nanoparticle and preparation method and application thereof 中国科学院昆明动物研究所 2024-03-12 CN disclosed
CN-115121260-A Nano gold-cuprous oxide heterojunction and preparation method and application thereof 武汉理工大学 2022-09-30 CN disclosed