SCHEMBL9501482

SCHEMBL9501482

Cc1c(CNCCCN2CCN(S(=O)(=O)c3cccc4c(Cl)cccc34)CC2)cccc1OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC2A1 P11166 1/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
MYLK Q15746 1/20 0.37
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
BDKRB1 P46663 2/20 0.36
BCHE P06276 2/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL9502183 0.85 TP53 (0.47) POLBMEN1KMT2ALMNAMAPT
SCHEMBL9502756 0.84 SLC2A1 (0.40) MEN1KMT2ASMN1; SMN2SLC2A1CYP2D6
SCHEMBL9504108 0.82 TP53 (0.44) POLBMEN1KMT2ALMNAMAPT
SCHEMBL9504044 0.82 POLB (0.38) POLBMEN1KMT2ALMNAMAPT
SCHEMBL9501109 0.80 TSHR (0.45) POLBLMNAMAPTMAPK1BDKRB1
SCHEMBL9502824 0.77 BCHE (0.41) CYP3A4CYP2D6BCHECHRM2CHRM4
SCHEMBL10518196 0.73 BCHE (0.38) LMNACYP2D6BCHECHRM2CHRM4
SCHEMBL9501464 0.70 BCHE (0.38) MEN1KMT2ALMNABCHEACHE
SCHEMBL7028323 0.64 POLB (0.50) POLBMEN1KMT2ALMNAMAPT
SCHEMBL5402906 0.63 CCR8 (0.56) POLBTP53CYP1A2CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US claimed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed