SCHEMBL14213773

SCHEMBL14213773

Cc1ccc(F)c(CNC2=NCCO2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CFB P00751 1/20 0.36
▸ STIM1 Q13586 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ EED O75530 8/20 0.33
▸ SUZ12 Q15022 5/20 0.31
▸ EZH2 Q15910 5/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL1178173 0.83 CD38 (0.36) ENPP2CFBEEDSUZ12EZH2
SCHEMBL10014958 0.78 TAAR1 (0.45) TAAR1CFBADRA2AADRA1AKMT2A
SCHEMBL1178471 0.69 MEN1 (0.34) CFBADRA2AADRA1AMEN1KMT2A
SCHEMBL1178520 0.69 TAAR1 (0.47) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL15984268 0.68 ENPP2 (0.37) ENPP2JAK2JAK3JAK1MEN1
SCHEMBL19967324 0.67 MEN1 (0.50) ENPP2JAK2JAK3JAK1MEN1
SCHEMBL8348698 0.67 TAAR1 (0.34) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL1179567 0.67 CFB (0.39) TAAR1CFBADRA2AADRA1AADRA2B
SCHEMBL2023829 0.66 ADRA2A (0.50) CFBADRA2AKMT2AADRA2BADRA2C
SCHEMBL1178570 0.66 GSK3B (0.44) JAK2JAK3ROCK1

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
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
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