SCHEMBL6596933

SCHEMBL6596933

CCOC(=O)c1cc2c(S)cccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
F10 P00742 3/20 0.53
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
ABCB11 O95342 1/20 0.46

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
SCHEMBL6300925 0.90 CCR2 (0.71) CCR2MAPTLMNAGAAHTT
SCHEMBL7000463 0.88 CCR2 (0.55) CCR2MAPTLMNAGAAHTT
SCHEMBL6306975 0.87 CCR2 (0.72) CCR2MAPTLMNAGAAHTT
SCHEMBL6303484 0.87 CCR2 (0.72) CCR2MAPTLMNAGAAHTT
SCHEMBL6302602 0.87 CCR2 (0.57) CCR2MAPTLMNAGAAHTT
SCHEMBL6306892 0.87 CCR2 (0.74) CCR2MAPTLMNAGAAHTT
SCHEMBL7000014 0.86 CCR2 (0.56) CCR2MAPTLMNAGAAHTT
SCHEMBL6999936 0.86 CCR2 (0.56) CCR2MAPTLMNAGAAHTT
SCHEMBL7002453 0.86 CCR2 (0.62) CCR2MAPTLMNAGAAHTT
SCHEMBL6302517 0.85 CCR2 (0.76) CCR2MAPTLMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150954-B1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-13 EP disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO disclosed