SCHEMBL10719519

SCHEMBL10719519

O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCCCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.80
KMT2A Q03164 5/20 0.74
MAPK1 P28482 3/20 0.74
MEN1 O00255 3/20 0.74
CYP3A4 P08684 3/20 0.74
CYP2C9 P11712 2/20 0.74
TP53 P04637 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 2/20 0.74
NFKB1 P19838 2/20 0.74
MYLK Q15746 2/20 0.74
LMNA P02545 4/20 0.72
MAPT P10636 2/20 0.72
GMNN O75496 2/20 0.72
PMP22 Q01453 1/20 0.72
TSHR P16473 7/20 0.71
CYP2C19 P33261 2/20 0.62
ATM Q13315 1/20 0.61
ALDH1A1 P00352 3/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL14207926 0.86 KMT2A (0.76) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
SCHEMBL13498156 0.85 POLB (0.74) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
SCHEMBL2869228 0.85 CYP3A4 (1.00) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
Hydrochloric Acid SCHEMBL29370764 0.84 MAPK1 (1.00) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
Hydrochloric Acid SCHEMBL1848494 0.84 MAPK1 (1.00) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
Hydrochloric Acid SCHEMBL1986979 0.83 CYP3A4 (0.95) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
SCHEMBL31684036 0.83 TSHR (1.00) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
SCHEMBL493231 0.83 TSHR (1.00) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
SCHEMBL31684034 0.82 TSHR (0.78) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4
SCHEMBL4555453 0.82 TSHR (0.78) SMN1; SMN2KMT2AMAPK1MEN1CYP3A4

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
JP-62087581-A None JP disclosed
JP-S6287581-A NAPHTHALENESULFONAMIDE DERIVATIVE HOKURIKU SEIYAKU CO LTD 1987-04-22 JP disclosed