SCHEMBL7628615

SCHEMBL7628615

CCC(=O)Nc1ccc(C(=O)N(CC)CC)c(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
ATAD2 Q6PL18 2/20 0.46
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL7632558 0.88 POLB (0.48) CA12CA1CA2CA9ATM
SCHEMBL7683635 0.88 CA1 (0.54) CA12CA1CA2CA9ATAD2
SCHEMBL7638278 0.82 CDK1 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL7637199 0.75 CYP1A2 (0.51) CA12CA1CA2CA9ATM
SCHEMBL11375617 0.74 CYP3A4 (0.65) CA12CA1CA2CA9ATAD2
SCHEMBL6906777 0.74 CDK1 (0.63) MAPTCYP1A2KMT2A
SCHEMBL8132611 0.74 HPGD (0.54) CA1CA2ALDH1A1RAB9AMAPT
SCHEMBL7281586 0.74 HSP90AA1 (0.51) ALDH1A1
SCHEMBL7278120 0.74 HSP90AA1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL7679850 0.73 ATM (0.43) CA12CA1CA2CA9ATAD2

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
US-6486096-B1 Herbicidal compositions with acylated aminophenylsulfonylureas HOECHST SCHERING AGREVO GMBH (DE) 2002-11-26 US disclosed