SCHEMBL28627280

SCHEMBL28627280

C=Cc1ccncc1.[Li]C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
NAPRT Q6XQN6 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
SNCA P37840 1/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 2/20 0.36

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
Hydrogen Peroxide SCHEMBL27481776 0.89 ALDH1A1 (0.53) JUNNFKB1NAPRTALDH1A1TSHR
Acrylic Acid SCHEMBL7781248 0.87 JUN (0.47) JUNNFKB1NAPRTALDH1A1TSHR
Acetic Acid SCHEMBL8516899 0.87 JUN (0.47) JUNNFKB1NAPRTALDH1A1TSHR
Benzene SCHEMBL28291559 0.84 ALDH1A1 (0.60) JUNNFKB1ALDH1A1TSHRCYP19A1
Benzene SCHEMBL28593769 0.84 ALDH1A1 (0.60) JUNNFKB1ALDH1A1TSHRCYP19A1
SCHEMBL14867 0.83
SCHEMBL28222778 0.83 ALDH1A1 (0.59) JUNNFKB1ALDH1A1TSHRCYP19A1
Formic Acid SCHEMBL27451327 0.82 ALDH1A1 (0.46) JUNNFKB1NAPRTALDH1A1TSHR
Lactic Acid SCHEMBL11676038 0.82 PTGS2 (0.44) JUNNFKB1NAPRTALDH1A1TSHR
Propionic Acid SCHEMBL11408290 0.82 JUN (0.42) JUNNFKB1NAPRTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112652772-B Adhesive, preparation method thereof, negative electrode containing adhesive and lithium ion battery 桂林电器科学研究院有限公司 2022-05-06 CN disclosed
CN-112652772-A Adhesive, preparation method thereof, negative electrode containing adhesive and lithium ion battery 桂林电器科学研究院有限公司 2021-04-13 CN disclosed