SCHEMBL2010268

SCHEMBL2010268

O=C(Nc1ccccc1)C1CCC(c2cccc(F)c2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 4/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 2/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 4/20 0.45
ELOVL6 Q9H5J4 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.43
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL12628945 1.00 TSHR (0.48) TSHRPOLBGAALMNAHTT
SCHEMBL12629075 0.89 ALDH1A1 (0.57) GAALMNAHTTSMN1; SMN2USP2
SCHEMBL2013828 0.89 ALDH1A1 (0.57) GAALMNAHTTSMN1; SMN2USP2
SCHEMBL12628296 0.88 DPP4 (0.48) TSHRGAALMNAHTTSMN1; SMN2
SCHEMBL2015023 0.88 DPP4 (0.48) TSHRGAALMNAHTTSMN1; SMN2
SCHEMBL2012495 0.88 ALDH1A1 (0.51) TSHRLMNASMN1; SMN2TP53KMT2A
SCHEMBL12628166 0.88 ALDH1A1 (0.51) TSHRLMNASMN1; SMN2TP53KMT2A
SCHEMBL12628947 0.85 ALDH1A1 (0.48) TSHRPOLBLMNAKMT2AALDH1A1
SCHEMBL2015738 0.85 ALDH1A1 (0.48) TSHRPOLBLMNAKMT2AALDH1A1
SCHEMBL2013444 0.82 SMN1; SMN2 (0.53) POLBGAALMNAHTTSMN1; SMN2

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