SCHEMBL28977415

SCHEMBL28977415

CCOc1cc(NC(C)=O)cc([N+](=O)[O-])c1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
RORC P51449 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL30360234 1.00 POLB (0.48) POLBKMT2AMEN1LMNATDP1
SCHEMBL11120482 0.89 ALDH1A1 (0.47) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL11120481 0.89 ALDH1A1 (0.47) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL10595968 0.84 ALDH1A1 (0.46) POLBKMT2AMEN1LMNATDP1
SCHEMBL11316740 0.82 POLB (0.62) POLBKMT2AMEN1LMNATDP1
SCHEMBL30929837 0.82 MAPT (0.42) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL28977418 0.80 MEN1 (0.53) POLBKMT2AMEN1LMNAHTT
SCHEMBL30360239 0.80 MEN1 (0.53) POLBKMT2AMEN1LMNAHTT
SCHEMBL30360237 0.77 TDP1 (0.67) KMT2AMEN1LMNATDP1RORC
SCHEMBL28977416 0.77 TDP1 (0.67) KMT2AMEN1LMNATDP1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894362-B Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-11-07 CN claimed
CN-115894362-A Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-04-04 CN claimed
CN-115894362-B Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-11-07 CN disclosed
CN-115894362-A Intermediate and application and method thereof in preparation of pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-04-04 CN disclosed