SCHEMBL28110160

SCHEMBL28110160

CC(Oc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
GAA P10253 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
PRSS1 P07477 8/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
PARP10 Q53GL7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ST14 Q9Y5Y6 3/20 0.50
F2 P00734 2/20 0.50
PLAU P00749 1/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
KMT2A Q03164 1/20 0.49
TMPRSS15 P98073 4/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL8770674 0.83 NPC1 (0.51) PRSS1PRSS2PRSS3SMN1; SMN2NPSR1
SCHEMBL8770226 0.83 NPC1 (0.51) PRSS1PRSS2PRSS3SMN1; SMN2NPSR1
SCHEMBL4262556 0.83 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7117710 0.82 PRSS1 (0.58) PRSS1PRSS2PRSS3F2PLAU
SCHEMBL2234094 0.82 KMT2A (0.71) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11275382 0.81 PARP10 (0.64) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5790248 0.80 GAA (0.62) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL943227 0.80 GAA (0.62) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL19489229 0.80 SMN1; SMN2 (0.58) PRSS1PRSS2PRSS3SMN1; SMN2ST14
SCHEMBL19486253 0.80 SMN1; SMN2 (0.58) PRSS1PRSS2PRSS3SMN1; SMN2ST14

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
CN-106164072-B Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2019-10-01 CN disclosed
CN-106164072-A Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2016-11-23 CN disclosed