SCHEMBL22444599

SCHEMBL22444599

CNC(CCc1cccnc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.51
GPR132 Q9UNW8 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NAPRT Q6XQN6 1/20 0.49
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
MMP12 P39900 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 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
SCHEMBL26008195 1.00 TBXAS1 (0.51) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL26009175 0.88 LMNA (0.47) TBXAS1LMNANAPRTCYP1A2CYP3A4
SCHEMBL29794529 0.85 TBXAS1 (0.57) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL30937414 0.85 TBXAS1 (0.57) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL29794532 0.85 TBXAS1 (0.57) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL31370303 0.85 TBXAS1 (0.57) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL6220905 0.85 TBXAS1 (0.57) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL14640282 0.85 TBXAS1 (0.57) TBXAS1GPR132LMNAKDM4ENAPRT
SCHEMBL164831 0.82 MME (0.58) KMT2A
SCHEMBL12683553 0.82 MME (0.58) KMT2A

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
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed