SCHEMBL29801774

SCHEMBL29801774

NC(=O)c1c(CCc2c(C(N)=O)c(=O)oc3ccccc23)c2ccccc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GLA P06280 1/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 4/20 0.49
NQO1 P15559 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4D Q08499 1/20 0.49
PCSK7 Q16549 1/20 0.49
GPR35 Q9HC97 1/20 0.49
KDM4E B2RXH2 2/20 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
SCHEMBL2284198 0.80 CA12 (0.71) ALDH1A1GLACA12CA9LMNA
SCHEMBL593494 0.79 LMNA (0.46) ALDH1A1LMNANQO1TSHRHTT
SCHEMBL1850238 0.79 ALDH1A1 (0.56) ALDH1A1GLACA12CA9LMNA
SCHEMBL28716052 0.77 BRAF (0.50) ALDH1A1GLACA12CA9LMNA
SCHEMBL28335164 0.76 ALDH1A1 (0.50) ALDH1A1GLACA12CA9LMNA
SCHEMBL10710132 0.76 CA12 (0.49) ALDH1A1GLACA12CA9LMNA
SCHEMBL18114013 0.75 ALDH1A1 (0.48) ALDH1A1GLACA12CA9LMNA
SCHEMBL28163408 0.75 CA12 (0.55) ALDH1A1GLACA12CA9LMNA
SCHEMBL1568301 0.74 NQO1 (0.66) ALDH1A1LMNANQO1MEN1TP53
SCHEMBL8083350 0.73 CA12 (0.53) ALDH1A1CA12CA9LMNANQO1

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-114921358-B Geobacillus strain and application thereof 贵州家乡美生物科技有限公司 2023-07-25 CN disclosed
CN-114921358-A Bacillus altitudinis strain and application thereof 毕节市家乡美农业综合开发有限公司 2022-08-19 CN disclosed