SCHEMBL14106936

SCHEMBL14106936

C=C/C(=C\C=C/N)S(=O)(=O)n1nc(C(=O)OCC)c2ccc(N3CCNCC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
KHK P50053 7/20 0.35
ELANE P08246 1/20 0.34
MAPT P10636 2/20 0.33
ALOX12 P18054 2/20 0.33
APAF1 O14727 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL5095089 0.77 HTR6 (0.48) HTR6KHKELANELMNAALDH1A1
SCHEMBL5097527 0.74 HTR6 (0.41) HTR6KHKELANEALDH1A1
SCHEMBL14106935 0.71 KDM4E (0.40) HTR6LMNAKDM4EALDH1A1
SCHEMBL5095012 0.71 THRB (0.38) HTR6KHKMAPTLMNATP53
SCHEMBL5097139 0.70 GHSR (0.39) HTR6ELANEMAPTKDM4EALDH1A1
SCHEMBL5103473 0.68 HTR6 (0.48) HTR6KHKELANELMNAALDH1A1
SCHEMBL28503428 0.66 ADRB1 (0.40) KHKALDH1A1CDK4CCND3
SCHEMBL492277 0.66 ADRB1 (0.40) KHKMAPTALOX12APAF1CACNA1B
SCHEMBL22789947 0.64 KHK (0.47) HTR6KHKMAPTKDM4E
SCHEMBL6779177 0.64 KMT2A (0.60) MAPTLMNAKDM4EALDH1A1CDK4

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-2008101247-A2 6 ' SUBSTITUTED INDOLE AND INDAZOLE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 WO disclosed