SCHEMBL5504045

SCHEMBL5504045

CCCN(CC)S(=O)(=O)c1cc(C(=O)CCC(=O)O)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.63
KMT2A Q03164 1/20 0.63
CYP1A2 P05177 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
HTT P42858 4/20 0.50
ALDH1A1 P00352 7/20 0.49
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 6/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
SCHEMBL11354188 0.95 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11417022 0.84 KMT2A (0.48) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11340948 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11342790 0.82 KMT2A (0.53) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11596058 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11596686 0.81 KMT2A (0.79) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11526842 0.80 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11595412 0.78 SMN1; SMN2 (0.62) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11597512 0.78 SMN1; SMN2 (0.74) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11597649 0.78 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed