SCHEMBL29052006

SCHEMBL29052006

O=P(O)(O)SNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL4757961 0.77 PHGDH (0.40) CA9CA12TP53EPHX1TSHR
Diphenylamine SCHEMBL27245440 0.70 HSD17B10 (0.67) CA9CA12TSHRCA2CA4
Diphenylamine SCHEMBL28255754 0.70 HSD17B10 (0.67) CA9CA12TSHRCA2CA4
Diphenylamine SCHEMBL27245439 0.70 HSD17B10 (0.67) CA9CA12TSHRCA2CA4
SCHEMBL3071192 0.70 CA9 (0.44) CA9CA12TP53EPHX1TSHR
SCHEMBL28307958 0.70 ALOX15 (0.50) CA9CA12SMN1; SMN2NPC1RAB9A
SCHEMBL8081387 0.69 CA9 (0.52) CA9CA12TP53EPHX1TSHR
SCHEMBL195068 0.69 CA9 (0.52) CA9CA12TP53EPHX1TSHR
Phosphoric Acid SCHEMBL28208351 0.69 IDO1 (0.74) CA9CA12TP53EPHX1TSHR
Phosphoric Acid SCHEMBL27855618 0.69 IDO1 (0.74) CA9CA12TP53EPHX1TSHR

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-118284692-A Gene editing of PCSK9 or ANGPTL3 and compositions and methods of using same for treating diseases 维乎医疗有限公司 2024-07-02 CN disclosed
CN-117580950-A Compositions and methods for treating TDP-43 proteinopathies 梅兹治疗公司 2024-02-20 CN disclosed
CN-117042797-A Compositions and methods for treating hepatitis b virus infection 维尔生物科技有限公司 2023-11-10 CN disclosed
CN-116917338-A Methods and compositions comprising PD1 chimeric polypeptides 西雅图儿童医院(DBA西雅图儿童研究所) 2023-10-20 CN disclosed
CN-116390943-A Engineered hepatitis b virus neutralizing antibodies and uses thereof 维尔生物科技有限公司 2023-07-04 CN disclosed