SCHEMBL30722969

SCHEMBL30722969

O=C1C(Br)c2ccccc2N1S

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.35
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
TLR9 Q9NR96 1/20 0.31
ALDH1A1 P00352 5/20 0.31
GAA P10253 3/20 0.31
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
HTT P42858 2/20 0.31
MGLL Q99685 2/20 0.31
LMNA P02545 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATM Q13315 1/20 0.30
HPGD P15428 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL4411210 0.78 AADAT (0.36) AADATMEN1KMT2AMAPTTLR9
SCHEMBL27451950 0.76 MEN1 (0.44) AADATMEN1KMT2AMAPTALDH1A1
SCHEMBL28878339 0.73 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL19410674 0.67 HTR2A (0.45) MEN1KMT2AALDH1A1KDM4E
SCHEMBL28153014 0.66 CES2 (0.50) MEN1KMT2AMAPTALDH1A1
SCHEMBL31124667 0.61 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9903242 0.60 OPRM1 (0.44) AADATMEN1KMT2AMAPTTLR9
SCHEMBL29620057 0.60 AADAT (0.35) AADATMEN1KMT2AMAPTTLR9
SCHEMBL22631177 0.58 AADAT (0.58) AADATMEN1KMT2AALDH1A1GAA
SCHEMBL6902840 0.58 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1KDM4E

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-115197118-B Synthesis method of 3, 3-disubstituted vulcanized oxindole derivative 贵州医科大学 2024-01-23 CN disclosed