SCHEMBL2011582

SCHEMBL2011582

O=C(NCc1ccccc1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
FKBP1A P62942 1/20 0.49
SLC13A5 Q86YT5 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL12629080 1.00 ALDH1A1 (0.60) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12629084 0.96 ALDH1A1 (0.66) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2017637 0.96 ALDH1A1 (0.66) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12628159 0.92 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL2011504 0.92 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AFKBP1A
SCHEMBL2012438 0.90 KMT2A (0.53) ALDH1A1MEN1KMT2APOLBFKBP1A
SCHEMBL12628961 0.90 KMT2A (0.53) ALDH1A1MEN1KMT2APOLBFKBP1A
SCHEMBL12629088 0.89 KMT2A (0.56) ALDH1A1MEN1KMT2APOLBCNR1
SCHEMBL2014843 0.89 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBSLC13A5
SCHEMBL12629083 0.89 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBSLC13A5

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-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed