SCHEMBL30360237

SCHEMBL30360237

CCOc1cc(NC(C)=O)cc(N)c1OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
RORC P51449 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CREBBP Q92793 1/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL28977416 1.00 TDP1 (0.67) TDP1RORCMEN1KMT2ACYP1A2
SCHEMBL2336609 0.80 TDP1 (0.78) TDP1RORCMEN1KMT2ACYP1A2
SCHEMBL2972710 0.80 TDP1 (1.00) TDP1RORCMEN1KMT2ACYP1A2
SCHEMBL30929832 0.79 TDP1 (0.43) TDP1MEN1KMT2ACYP1A2LMNA
Hydrochloric Acid SCHEMBL10874071 0.79 TDP1 (0.97) TDP1RORCMEN1KMT2ACYP1A2
SCHEMBL7760816 0.78 TSHR (0.62) TDP1MEN1KMT2ALMNATSHR
SCHEMBL28977415 0.77 POLB (0.48) TDP1RORCMEN1KMT2ACYP1A2
SCHEMBL30360234 0.77 POLB (0.48) TDP1RORCMEN1KMT2ACYP1A2
SCHEMBL30360235 0.76 MAPT (0.51) TDP1MEN1KMT2ALMNAMAPT
SCHEMBL28977413 0.76 MAPT (0.51) TDP1MEN1KMT2ALMNAMAPT

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
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-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