SCHEMBL6598529

SCHEMBL6598529

COC(=O)c1cc2c(O)cccc2n1Cc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.52
MAPT P10636 4/20 0.47
CCR2 P41597 1/20 0.47
TP53 P04637 1/20 0.47
F2 P00734 3/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6308115 0.87 MAPT (0.59) F10MAPTCCR2F2THRB
SCHEMBL6303111 0.85 MAPT (0.63) F10MAPTCCR2F2
SCHEMBL6307047 0.85 HPGD (0.48) F10MAPTCCR2TP53THRB
SCHEMBL6596946 0.84 MAPT (0.59) F10MAPTF2THRBSMN1; SMN2
SCHEMBL6302533 0.84 CCR2 (0.63) F10MAPTCCR2
SCHEMBL6596771 0.83 CCR2 (0.47) F10MAPTCCR2TP53THRB
SCHEMBL7082977 0.75 ABCB11 (0.52) F10MAPTCCR2TP53THRB
SCHEMBL6785298 0.73 ABCB11 (0.76) MAPTCCR2TP53
SCHEMBL6308930 0.72 MAPT (0.55) MAPTCCR2TP53THRBSMN1; SMN2
SCHEMBL6775247 0.71 CCR2 (0.65) F10MAPTCCR2TP53THRB

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