SCHEMBL9253473

SCHEMBL9253473

CC(=O)Oc1cc(C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TOP1 P11387 3/20 0.48
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.45
PKM P14618 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44

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
SCHEMBL27672697 0.89 NPC1 (0.64) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL20191181 0.87 TOP1 (0.62) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7048480 0.83 TOP1 (0.42) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7371498 0.81 VCAM1 (0.51) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL7363637 0.78 TPMT (0.56) LMNAALDH1A1RAB9ATOP1GAA
SCHEMBL4322943 0.76 GAA (0.56) LMNASMN1; SMN2HPGDALDH1A1CYP2C19
SCHEMBL8302813 0.76 SMN1; SMN2 (0.60) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7436807 0.76 TPMT (0.43) L3MBTL1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10318606 0.75 ALDH1A1 (0.71) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL8848390 0.75 MEN1 (0.55) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 CN disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed