SCHEMBL28587403

SCHEMBL28587403

O=[N+]([O-])c1ccc2nonc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
KCNJ1 P48048 1/20 0.55
KCNH2 Q12809 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ENPP2 Q13822 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 1/20 0.49
NAMPT P43490 1/20 0.49
XDH P47989 1/20 0.49
PDK1 Q15118 1/20 0.47
ARNT P27540 1/20 0.47
EPAS1 Q99814 1/20 0.47

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
SCHEMBL30879410 0.77 ALDH1A1 (0.46) KCNJ1KCNH2MEN1KMT2AUSP2
SCHEMBL8310859 0.76 HSPD1 (0.59) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL212004 0.73 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2TSHRALDH1A1
SCHEMBL15197892 0.73 CYP1A2 (0.58) TXNRD1TXNRD3TXNRD2TSHRALDH1A1
SCHEMBL31040685 0.73 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2TSHRALDH1A1
SCHEMBL922633 0.72 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2TSHRALDH1A1
SCHEMBL923467 0.72 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2KCNJ1MEN1
SCHEMBL1259529 0.72 GUCY1B2 (0.59) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL4561641 0.72 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2TSHRALDH1A1
SCHEMBL10659797 0.72 MAPT (0.49) TXNRD1TXNRD3TXNRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483643-B Novel antibody composition, isolated nucleic acid and preparation method 深圳市雅为泓源生物科技有限公司 2021-06-08 CN disclosed