SCHEMBL8655686

SCHEMBL8655686

CC(N)C(O)(I)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
KIF11 P52732 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN4 O15554 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KCNA5 P22460 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
MAOA P21397 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
SCHEMBL295338 0.77 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL7491387 0.77 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL7491379 0.77 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL1153634 0.77 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL2034432 0.77 CYP2D6 (0.52) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8841088 0.76 CYP2D6 (0.50) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8841086 0.76 CYP2D6 (0.50) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL13951979 0.76 CYP2D6 (0.48) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL8733990 0.74 CYP1A2 (0.42) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL1667436 0.74 CYP1A2 (0.52) CYP2D6CYP1A2KDM4ELMNACYP2C19

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
EP-0842148-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1998-05-20 EP disclosed
WO-1997006136-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1997-02-20 WO disclosed