SCHEMBL19475540

SCHEMBL19475540

Cc1ccc(S(=O)(=O)OCC2CCCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CD4 P01730 2/20 0.54
SORT1 Q99523 1/20 0.54
LMNA P02545 2/20 0.50
HTR2A P28223 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
HTR6 P50406 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL14166152 0.95 SMN1; SMN2 (0.56) SMN1; SMN2CD4SORT1LMNAHTR2A
SCHEMBL1943416 0.91 ACHE (0.53) SMN1; SMN2CD4SORT1POLBHTR6
SCHEMBL8540877 0.88 HTR6 (0.54) SMN1; SMN2CD4SORT1LMNAALDH1A1
SCHEMBL8540875 0.88 HTR6 (0.54) SMN1; SMN2CD4SORT1LMNAALDH1A1
SCHEMBL9212450 0.88 BCHE (0.50) SMN1; SMN2CD4SORT1LMNAALDH1A1
SCHEMBL9208266 0.82 BCHE (0.58) HTR2AALDH1A1POLBHTR6ACHE
SCHEMBL5744572 0.80 CYP2D6 (0.57) SMN1; SMN2CD4SORT1LMNAHTR2A
SCHEMBL7782471 0.80 HTR6 (0.53) SMN1; SMN2CD4SORT1LMNAALDH1A1
SCHEMBL9217317 0.79 HTR2A (0.55) HTR2AALDH1A1HTR6ACHEDRD2
SCHEMBL19475555 0.79 GRIN2B (0.57) SMN1; SMN2ALDH1A1

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-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 WO disclosed