SCHEMBL27917822

SCHEMBL27917822

O=C(O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
HTR1A P08908 3/20 0.55
HTR7 P34969 3/20 0.55
EPHX2 P34913 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SFRP1 Q8N474 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
TBXA2R P21731 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KIT P10721 1/20 0.47
STS P08842 1/20 0.47

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
SCHEMBL4966206 0.86 ALDH1A1 (0.66) HTTMEN1KMT2AKDM4ERECQL
SCHEMBL27900148 0.86 MEN1 (0.53) HTTMEN1KMT2AKDM4ERECQL
SCHEMBL28802144 0.84 HTR1A (0.59) HTTHTR1AHTR7SFRP1HDAC8
SCHEMBL3660279 0.83 ALDH1A1 (0.66) HTTHTR1AHTR7EPHX2MEN1
SCHEMBL28822460 0.82 KIT (0.51) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1865107 0.82 MEN1 (0.48) EPHX2MEN1KMT2AKDM4ERECQL
SCHEMBL4737973 0.81 HDAC8 (0.53) HTTHTR1AHTR7EPHX2KDM4E
SCHEMBL2178427 0.81 KDM4E (0.68) HTTHTR1AHTR7KMT2AKDM4E
SCHEMBL7533683 0.81 STS (0.73) HTTSFRP1ALDH1A1STS
SCHEMBL28805541 0.81 STS (0.70) HTTMEN1KMT2AALDH1A1STS

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
CN-103068797-A Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI SA 2013-04-24 CN disclosed