SCHEMBL14385136

SCHEMBL14385136

Cc1ccc(S(=O)(=O)OCCC2CCCNC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
HTR6 P50406 1/20 0.39
KDM1A O60341 2/20 0.39
BRD4 O60885 1/20 0.38
ACP1 P24666 2/20 0.38
EED O75530 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
STAT3 P40763 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SYK P43405 2/20 0.36
AURKB Q96GD4 2/20 0.36
KCNH2 Q12809 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL3387608 0.86 KDM1A (0.43) KMT2AHTR6KDM1AEEDCHRNB2
SCHEMBL334939 0.84 ACHE (0.44) KMT2ASTAT3CYP1A2CYP2D6CA12
SCHEMBL336340 0.84 ALDH1A1 (0.44) KMT2ASTAT3CYP1A2CYP2D6CA12
SCHEMBL13068833 0.83 HTR6 (0.48) KMT2AHTR6KDM1ASTAT3CYP1A2
SCHEMBL7026133 0.83 ALDH1A1 (0.46) KMT2ACYP1A2CYP2D6KCNH2CA12
SCHEMBL25642110 0.82 HTR6 (0.43) HTR6STAT3CYP1A2CYP2D6CA12
SCHEMBL244134 0.81 CYP2D6 (0.43) KMT2ASTAT3CYP1A2CYP2D6CA12
SCHEMBL8790104 0.78 HTR6 (0.45) HTR6KDM1ACHRNB2CHRNA4STAT3
SCHEMBL16797263 0.78 HTR6 (0.45) HTR6KDM1ACHRNB2CHRNA4STAT3
SCHEMBL8790095 0.78 HTR6 (0.45) HTR6KDM1ACHRNB2CHRNA4STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed