SCHEMBL8108129

SCHEMBL8108129

O=C(O)c1ccc(-c2cncc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.61
SLC22A12 Q96S37 1/20 0.57
ROCK2 O75116 1/20 0.52
NAMPT P43490 1/20 0.52
MMP9 P14780 1/20 0.51
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
CCNC P24863 6/20 0.49
CDK8 P49336 6/20 0.49
FLT3 P36888 1/20 0.49
MYLK Q15746 1/20 0.49
AURKB Q96GD4 1/20 0.49
CILK1 Q9UPZ9 1/20 0.49
CDK11A Q9UQ88 1/20 0.49
ERN1 O75460 1/20 0.48
PLA2G10 O15496 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL17837335 0.86 PRKCZ (0.59) PRKCZSLC22A12ROCK2NAMPTMMP9
SCHEMBL12074301 0.83 PRKCZ (0.73) PRKCZROCK2NAMPTCYP11B1CYP11B2
SCHEMBL29501875 0.82 PRKCZ (0.72) PRKCZROCK2NAMPTCYP11B1CYP11B2
SCHEMBL6243938 0.82 PRKCZ (0.72) PRKCZROCK2NAMPTCYP11B1CYP11B2
SCHEMBL15733104 0.80 ROCK2 (0.65) PRKCZROCK2NAMPTMMP9CYP11B1
SCHEMBL5788498 0.80 HDAC8 (0.68) CYP1A2CYP2C9CYP2C19
SCHEMBL2774270 0.78 PRKCZ (0.57) PRKCZSLC22A12ROCK2NAMPTMMP9
SCHEMBL16502629 0.78 SLC22A12 (0.54) SLC22A12CYP11B1CYP11B2CYP3A4
SCHEMBL12121434 0.77 PRKCZ (0.56) PRKCZMMP9CYP11B1CYP11B2ERN1
SCHEMBL2773031 0.77 PRKCZ (0.65) PRKCZROCK2NAMPTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed