SCHEMBL9967496

SCHEMBL9967496

O=C(NCc1ccccc1)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.55
▸ GLA P06280 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ EGFR P00533 2/20 0.53
▸ MAPK14 Q16539 1/20 0.52
▸ PDE2A O00408 1/20 0.52
▸ KMT2A Q03164 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ CNR2 P34972 1/20 0.49
▸ SORT1 Q99523 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HPGDS O60760 1/20 0.49

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
SCHEMBL15646063 0.80 NAMPT (0.55) KMT2ALMNARAB9AHTT
SCHEMBL13210567 0.80 L3MBTL1 (0.76) MMP13GLAHPGDEGFRPRKAA2
SCHEMBL2142248 0.80 EGFR (0.62) MMP13GLAHPGDEGFRPRKAA2
SCHEMBL25376025 0.80 MAOA (0.49) GLAHPGDMAPK14KMT2ARAB9A
SCHEMBL15648419 0.79 NAMPT (0.65) KMT2ALMNA
SCHEMBL11979758 0.79 MAPK14 (0.76) MMP13HPGDMAPK14LMNARAB9A
SCHEMBL1019074 0.78 L3MBTL1 (0.65) MMP13GLAHPGDEGFRPRKAA2
SCHEMBL11633297 0.78 MMP13 (0.59) MMP13GLAHPGDEGFRKMT2A
SCHEMBL12266355 0.78 MMP13 (0.59) MMP13GLAHPGDEGFRKMT2A
SCHEMBL18544165 0.77 KMT2A (0.67) KMT2A

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
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 — — WO disclosed
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