SCHEMBL27636716

SCHEMBL27636716

CCC1c2ccc(C)cc2-c2ccccc2N1C=CCS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
BRD4 O60885 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.31
KMT2A Q03164 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
KCNN4 O15554 1/20 0.30
KCNA3 P22001 1/20 0.30
APAF1 O14727 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL27636772 0.90 ESR1 (0.34) CTSKALDH1A1ESR1KMT2APSEN1
SCHEMBL27637144 0.84 ESR1 (0.33) CTSKESR1KMT2APSEN1PSEN2
SCHEMBL27617735 0.84 GAA (0.33) CTSKBRD4ALDH1A1
SCHEMBL27617674 0.83 CYP1A2 (0.32) ESR1
SCHEMBL28757617 0.82 CTSK (0.36) CTSKALDH1A1ESR1KMT2AKCNN4
SCHEMBL28754639 0.81 ESR1 (0.39) ALDH1A1ESR1KMT2APSEN1PSEN2
SCHEMBL27636782 0.80 ALDH1A1 (0.36) ALDH1A1ESR1KMT2A
SCHEMBL5213832 0.79 PSEN1 (0.49) ALDH1A1ESR1PSEN1PSEN2APH1B
SCHEMBL27636697 0.78 PTPRC (0.35)
SCHEMBL27617668 0.77 GPR3 (0.40) CTSKALDH1A1ESR1KMT2APSEN1

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-1720231-A Substituted dihydrophenanthridinesulfonamides WYETH CORP (US) 2006-01-11 CN claimed
CN-1720231-A Substituted dihydrophenanthridinesulfonamides WYETH CORP (US) 2006-01-11 CN disclosed