SCHEMBL27701196

SCHEMBL27701196

Cc1[nH]c2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.65
▸ PTGS2 P35354 3/20 0.60
▸ MAPK14 Q16539 2/20 0.58
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ EIF2AK2 P19525 1/20 0.51
▸ AHR P35869 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CTSV O60911 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ GSK3B P49841 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL16169793 0.85 IMPDH2 (0.69) IMPDH2PTGS2MEN1MAPTKMT2A
SCHEMBL17383846 0.85 IMPDH2 (0.73) IMPDH2PTGS2MEN1MAPTKMT2A
SCHEMBL4607984 0.82 ESR1 (0.69) IMPDH2PTGS2MEN1MAPTKMT2A
SCHEMBL8722197 0.82 IMPDH2 (0.65) IMPDH2PTGS2MEN1MAPTKMT2A
SCHEMBL6986423 0.82 IMPDH2 (0.65) IMPDH2PTGS2MEN1MAPTKMT2A
SCHEMBL7042862 0.81 MAPK14 (0.81) PTGS2MAPK14MAPTKDM4ECTSV
SCHEMBL704586 0.81 IMPDH2 (0.55) IMPDH2MEN1MAPTKMT2ANPSR1
SCHEMBL19217028 0.81 GSK3B (0.51) IMPDH2PTGS2MAPK14MEN1MAPT
SCHEMBL15797297 0.80 GSK3B (0.64) IMPDH2PTGS2MAPK14MEN1MAPT
SCHEMBL12561582 0.80 MAPT (0.55) PTGS2MAPK14MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087784-A Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS INC (US) 2007-12-12 — — CN disclosed
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