SCHEMBL5221479

SCHEMBL5221479

O=C(O)c1c(SCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.69
EDNRB P24530 2/20 0.51
EDNRA P25101 2/20 0.51
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCB11 O95342 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
PPARG P37231 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL5216188 0.87 CCR2 (0.56) CCR2EDNRBEDNRACYP3A4MAPT
SCHEMBL6599738 0.82 CCR2 (1.00) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL6302591 0.81 CCR2 (1.00) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL6307042 0.80 CCR2 (0.77) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL5213947 0.80 CCR2 (0.77) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL5221748 0.78 CCR2 (0.74) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL6307834 0.78 CCR2 (0.84) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL5216530 0.77 CCR2 (0.68) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL5214630 0.76 CCR2 (0.80) CCR2CYP3A4MAPTALDH1A1LMNA
SCHEMBL5221002 0.76 CCR2 (0.70) CCR2CYP3A4MAPTALDH1A1LMNA

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-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed
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