SCHEMBL29032853

SCHEMBL29032853

CCOP(=O)(OCC)n1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.47
KEAP1 Q14145 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP4Z1 Q86W10 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL22492305 0.81 ALDH1A1 (0.51) MEN1LMNAKMT2ASMN1; SMN2POLB
SCHEMBL24744740 0.76 SLC9A1 (0.49) SLC9A1KEAP1LMNACYP4Z1POLB
SCHEMBL266156 0.76 TSHR (0.48) SLC9A1KEAP1MEN1LMNAKMT2A
SCHEMBL9428846 0.74 SLC9A1 (0.59) SLC9A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL30363379 0.73 POLB (0.52) SLC9A1KEAP1KMT2ACYP4Z1POLB
SCHEMBL6048144 0.73 MAPT (0.52) SLC9A1KEAP1KMT2ACYP4Z1POLB
SCHEMBL9618513 0.73 POLB (0.52) SLC9A1KEAP1KMT2ACYP4Z1POLB
SCHEMBL8804149 0.72 TSHR (0.50) SLC9A1KEAP1KMT2ASMN1; SMN2TSHR
SCHEMBL2115731 0.70 GAA (0.58) SLC9A1LMNAKMT2ATSHRNPSR1
SCHEMBL22638081 0.70 CYP1A2 (0.50) MEN1LMNAKMT2ASMN1; SMN2POLB

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-116375774-A Conjugate, preparation method and application thereof 苏州瑞博生物技术股份有限公司 2023-07-04 CN disclosed
CN-110959011-B Conjugate, preparation method and application thereof 苏州瑞博生物技术股份有限公司 2023-03-28 CN disclosed