SCHEMBL28501213

SCHEMBL28501213

NC1Cc2ccccc2N1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.46
GOT1 P17174 1/20 0.46
KYAT1 Q16773 1/20 0.46
KYAT3 Q6YP21 1/20 0.46
LMNA P02545 5/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 1/20 0.38
TSHR P16473 3/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL7786222 0.76 NOTUM (0.46) LMNAKMT2AMEN1MAPTNOTUM
SCHEMBL28070868 0.72 AADAT (0.53) AADATGOT1KYAT1KYAT3KMT2A
SCHEMBL6652555 0.70 AADAT (0.46) AADATGOT1KYAT1KYAT3KMT2A
SCHEMBL653641 0.69 LMNA (0.43) AADATGOT1KYAT1KYAT3LMNA
SCHEMBL30958761 0.69 LMNA (0.61) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL23346693 0.68 AADAT (0.44) AADATGOT1KYAT1KYAT3NOTUM
SCHEMBL23512951 0.67
SCHEMBL11031412 0.67 ALDH1A1 (0.50) AADATGOT1KYAT1KYAT3LMNA
SCHEMBL31514918 0.67 LMNA (0.41) AADATGOT1KYAT1KYAT3LMNA
SCHEMBL9652197 0.67 NOTUM (0.51) LMNAKMT2AMEN1MAPTSMN1; SMN2

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-112225684-B Synthetic method of organic intermediate 5-iodoindole 山东省农业科学院农产品研究所 2022-06-17 CN disclosed
CN-112225684-A Synthetic method of organic intermediate 5-iodoindole 山东省农业科学院农产品研究所 2021-01-15 CN disclosed