SCHEMBL27595293

SCHEMBL27595293

COc1cc(F)c2nc(N)cc(C(=O)n3ccnc3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
CYP24A1 Q07973 1/20 0.34
CPS1 P31327 4/20 0.33
CYP19A1 P11511 5/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TBXAS1 P24557 1/20 0.32
MAPT P10636 2/20 0.32
F2 P00734 1/20 0.32
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27580862 0.81 KDM4E (0.46) CYP11B1CYP11B2TBXAS1MAPT
SCHEMBL4277304 0.72 GSK3A (0.42) KMT2ATBXAS1CDK2TP53
SCHEMBL8335586 0.71 NOS2 (0.42) KMT2ACYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL7290470 0.70 NPC1 (0.49) KMT2AMAPT
SCHEMBL7706502 0.67 GAA (0.55) SMN1; SMN2
SCHEMBL4815855 0.65 KDM4E (0.53) CYP19A1CYP11B1CYP11B2TBXAS1MAPT
SCHEMBL27588449 0.65 KDM4E (0.60)
SCHEMBL5774733 0.65 CYP24A1 (0.36) KMT2ACYP24A1CYP19A1TBXAS1MAPT
SCHEMBL6775905 0.65 AHR (0.38) MAPT
SCHEMBL11110140 0.64 CYP19A1 (0.55) KMT2ACYP19A1TBXAS1MAPTSMN1; SMN2

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-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN disclosed