SCHEMBL17801413

SCHEMBL17801413

[CH2]C1CCN(S(=O)(=O)NCC)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
AURKA O14965 1/20 0.31
JAK1 P23458 1/20 0.31
AURKB Q96GD4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2428229 0.81 GNAI3 (0.34) CCNT1CDK9TSHRL3MBTL1GAA
SCHEMBL13403908 0.79 HCRTR2 (0.38) CCNT1CDK9TSHRL3MBTL1GAA
SCHEMBL13301197 0.78 HSD11B1 (0.38) CCNT1CDK9TSHRL3MBTL1JAK1
SCHEMBL13816965 0.77 ALDH1A1 (0.39) TSHRL3MBTL1GAAKMT2ATP53
SCHEMBL13301165 0.77 ALDH1A1 (0.42) TSHRL3MBTL1GAAMEN1KMT2A
SCHEMBL18024028 0.75 ALDH1A1 (0.45) TSHRL3MBTL1GAANPSR1KMT2A
SCHEMBL11936225 0.74 SMN1; SMN2 (0.38) TSHRL3MBTL1NPSR1MEN1KMT2A
SCHEMBL8281581 0.72 CA12 (0.48) TSHRL3MBTL1ALDH1A1
SCHEMBL25541434 0.72 KDM4E (0.42) TSHRMEN1KMT2ATP53ALDH1A1
SCHEMBL429660 0.70 TP53 (0.48) TSHRL3MBTL1GAANPSR1MEN1

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-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed