SCHEMBL16199734

SCHEMBL16199734

CCOC(=O)c1cc2nc(Nc3cc(CN)ccc3C)[nH]c2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ABL1 P00519 1/20 0.38
MAPT P10636 2/20 0.38
METTL3 Q86U44 1/20 0.37
RAF1 P04049 4/20 0.36
HDAC11 Q96DB2 1/20 0.36
ALOX15 P16050 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
DGAT1 O75907 1/20 0.36
P2RX7 Q99572 1/20 0.35
F9 P00740 1/20 0.35
DHODH Q02127 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1725936 0.93 CYP4F2 (0.42) CYP4F2CYP4A11ABL1MAPTMETTL3
SCHEMBL3106620 0.80 TSHR (0.41) CYP4F2CYP4A11MAPTTDP1DGAT1
SCHEMBL3100899 0.79 PTGES (0.43) CYP4F2CYP4A11
SCHEMBL1671454 0.70 CYP4F2 (0.73) CYP4F2CYP4A11METTL3CA12CA1
SCHEMBL1971881 0.68 HDAC11 (0.41) MAPTHDAC11HPGD
SCHEMBL1975779 0.68 MAPT (0.41) ABL1MAPT
SCHEMBL1967114 0.68 HDAC11 (0.42) ABL1MAPTMETTL3HDAC11TDP1
SCHEMBL1966839 0.68 PTGES (0.40) ABL1MAPTMETTL3HDAC11
SCHEMBL1725058 0.67 PTGES (0.40) MAPTSIRT2SIRT1SIRT3
SCHEMBL1964833 0.66 PTGES (0.41) ABL1HDAC11DGAT1

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
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed