SCHEMBL9055849

SCHEMBL9055849

O=c1ccn(-c2ccc(F)cc2)c2cc(-n3ccnc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
IDO1 P14902 1/20 0.43
CRBN Q96SW2 2/20 0.41
TBXAS1 P24557 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
NOTUM Q6P988 1/20 0.41
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP17A1 P05093 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37

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
Bicarbonate SCHEMBL9044272 0.75 RORC (0.47) LMNAMAPT
SCHEMBL21864732 0.75 GPR119 (0.35) IDO1CRBNTBXAS1PDE3BPDE3A
SCHEMBL255950 0.73 LMNA (0.64) MAOAMAOBNOTUMCYP19A1CYP11B1
SCHEMBL21864677 0.72 CYP2D6 (0.46) CYP19A1
Bromide SCHEMBL29232997 0.72 LMNA (0.62) MAOAMAOBNOTUMCYP19A1CYP11B1
Hydrochloric Acid SCHEMBL28349198 0.72 LMNA (0.62) MAOAMAOBTBXAS1NOTUMCYP19A1
SCHEMBL23900357 0.67 CYP19A1 (0.50) IDO1CRBNTBXAS1PDE3BPDE3A
SCHEMBL28274864 0.66 CYP11B1 (0.71) MAOAMAOBIDO1NOTUMCYP19A1
SCHEMBL6706742 0.66 MAOB (0.51) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL23532463 0.65 NOTUM (0.62) MAOAMAOBIDO1NOTUMCYP19A1

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
JP-8151368-A None JP disclosed
JP-H08151368-A NEW NAPHTYRIDONE OR QUINOLONE COMPOUND OR THEIR SALTS AND ANTIVIRAL COMPRISING THE SAME TOYAMA CHEM CO LTD 1996-06-11 JP disclosed