SCHEMBL11289683

SCHEMBL11289683

CN(C)/C=N\C(=O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL11289686 1.00 POLB (0.61) POLBCYP1A2CYP2C19L3MBTL1RECQL
SCHEMBL7900930 0.83 CYP1A2 (0.49) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL1186128 0.83 HTT (0.44) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL4901313 0.83 CYP1A2 (0.49) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL1186125 0.83 HTT (0.44) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL4901316 0.83 CYP1A2 (0.49) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL425120 0.81 HTT (0.61) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL1438908 0.81 RAB9A (0.51) POLBL3MBTL1RECQLHTTCES2
SCHEMBL446955 0.81 HTT (0.61) POLBCYP1A2CYP2C19L3MBTL1HTT
SCHEMBL11290394 0.81 RAB9A (0.51) POLBL3MBTL1RECQLHTTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051084-A1 Substituted 1H-1,2,4-triazoles AMERICAN CYANAMID COMPANY (US) 1982-05-12 EP disclosed
US-4259504-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed