SCHEMBL9504044

SCHEMBL9504044

CCC(NCc1cccc(OCC(C)C)c1C)N1CCN(S(=O)(=O)c2cccc3c(Cl)cccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MYLK Q15746 1/20 0.38
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
GMNN O75496 1/20 0.37
PMP22 Q01453 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL9501482 0.82 POLB (0.39) POLBMAPK1MEN1KMT2ATP53
SCHEMBL13497855 0.67 KMT2A (0.60) POLBMAPK1MEN1KMT2ATP53
SCHEMBL9502183 0.65 TP53 (0.47) POLBMEN1KMT2ATP53LMNA
SCHEMBL9502756 0.64 SLC2A1 (0.40) MEN1KMT2ACYP2D6SMN1; SMN2HTT
SCHEMBL9504108 0.63 TP53 (0.44) POLBMEN1KMT2ATP53CYP3A4
SCHEMBL5402906 0.63 CCR8 (0.56) POLBTP53CYP1A2CYP3A4CYP2D6
SCHEMBL10719519 0.62 SMN1; SMN2 (0.80) POLBMAPK1MEN1KMT2ATP53
SCHEMBL9502192 0.61 TDP1 (0.43) POLBMEN1KMT2ATP53CYP2D6
SCHEMBL19816980 0.61 ALDH1A1 (0.50) POLBMEN1KMT2ACYP1A2NFKB1
SCHEMBL13498156 0.61 POLB (0.74) POLBMAPK1MEN1KMT2ATP53

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