SCHEMBL29040264

SCHEMBL29040264

O=C(NO)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.54
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HDAC8 Q9BY41 3/20 0.46
MMP3 P08254 1/20 0.46
HIF1A Q16665 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MPO P05164 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FEN1 P39748 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC16A3 O15427 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42

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
SCHEMBL25364346 0.84 PBRM1 (0.53) PBRM1TSHRALDH1A1POLBKDM4E
SCHEMBL3477262 0.84 PBRM1 (0.53) PBRM1TSHRALDH1A1HIF1APOLB
SCHEMBL27517841 0.82 HDAC8 (0.50) PBRM1TSHRALDH1A1HDAC8MMP3
SCHEMBL275485 0.82 TSHR (0.65) PBRM1TSHRALDH1A1HIF1APOLB
SCHEMBL31356504 0.82 TSHR (0.65) PBRM1TSHRALDH1A1HIF1APOLB
SCHEMBL3478178 0.81 ALDH1A1 (0.61) PBRM1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28259296 0.81 ALDH1A1 (0.61) PBRM1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL9725353 0.80 TSHR (0.57) PBRM1TSHRALDH1A1HIF1APOLB
SCHEMBL28702990 0.80 TSHR (0.63) PBRM1TSHRALDH1A1HIF1APOLB
SCHEMBL7778738 0.80 TSHR (0.63) PBRM1TSHRALDH1A1HIF1APOLB

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-113563291-B Novel method for preparing chlorophthalic anhydride by solvent-free catalytic oxidation 哈尔滨工业大学(威海) 2023-06-20 CN disclosed