SCHEMBL7465366

SCHEMBL7465366

CCOC(=O)c1c(C(=O)N2CCSC(O)(O)C2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.49
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
AVPR1A P37288 1/20 0.41
F10 P00742 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ABCB11 O95342 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5213680 0.84 CCR2 (0.65) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5214263 0.83 CCR2 (0.52) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5214254 0.83 CCR2 (0.52) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5214863 0.80 CCR2 (0.76) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL6302584 0.80 CCR2 (0.62) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5220576 0.77 CCR2 (0.61) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL8688955 0.76 CCR2 (0.59) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5216535 0.76 CCR2 (0.59) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5214927 0.76 CCR2 (0.59) CCR2LMNAMAPTSMN1; SMN2GAA
SCHEMBL5219665 0.75 CCR2 (0.56) CCR2LMNAMAPTSMN1; SMN2GAA

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-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed