SCHEMBL30801043

SCHEMBL30801043

CC(=O)NC(Cc1cccnc1)(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.52
ALDH1A1 P00352 4/20 0.49
RECQL P46063 2/20 0.49
NAPRT Q6XQN6 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
BTN3A1 O00481 1/20 0.47
PDE3A Q14432 1/20 0.47
MMP8 P22894 1/20 0.46
HTT P42858 2/20 0.44
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6191319 1.00 FDPS (0.52) FDPSALDH1A1RECQLNAPRTCYP1A2
SCHEMBL10657868 0.87 ALDH1A1 (0.67) FDPSALDH1A1RECQLNAPRTMMP8
SCHEMBL10657875 0.87 ALDH1A1 (0.67) FDPSALDH1A1RECQLNAPRTMMP8
SCHEMBL10657871 0.87 ALDH1A1 (0.67) FDPSALDH1A1RECQLNAPRTMMP8
SCHEMBL28168069 0.82 ALDH1A1 (0.67) ALDH1A1RECQLCYP1A2CYP3A4CYP2C9
SCHEMBL5570727 0.82 ALDH1A1 (0.71) FDPSALDH1A1RECQLCYP1A2CYP3A4
SCHEMBL30476792 0.82 ALDH1A1 (0.71) FDPSALDH1A1RECQLCYP1A2CYP3A4
SCHEMBL9503704 0.82 KMT2A (0.64) FDPSALDH1A1RECQLNAPRTCYP1A2
SCHEMBL4065071 0.81 ALDH1A1 (0.50) FDPSALDH1A1RECQLCYP1A2CYP3A4
SCHEMBL7861665 0.76 FDPS (0.59) FDPSALDH1A1NAPRTCYP1A2CYP3A4

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-117460743-A Small molecule VE-PTP inhibitors 曼宁研究公司 2024-01-26 CN disclosed