SCHEMBL8942547

SCHEMBL8942547

CCOC(=O)C(Cl)=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.72
ALDH1A1 P00352 5/20 0.69
KMT2A Q03164 4/20 0.69
LMNA P02545 2/20 0.69
KDM4E B2RXH2 1/20 0.69
FBP1 P09467 1/20 0.57
MEN1 O00255 2/20 0.49
PPARG P37231 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL8942542 1.00 GLO1 (0.72) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL30172648 1.00 GLO1 (0.72) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL8018753 0.88 GLO1 (0.90) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL11097676 0.86 GLO1 (0.77) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL11097674 0.86 GLO1 (0.77) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL1095181 0.86 GLO1 (0.73) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL1095182 0.86 GLO1 (0.73) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL3043851 0.85 GLO1 (0.72) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL1095183 0.85 GLO1 (0.72) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL7475824 0.84 GLO1 (0.78) GLO1ALDH1A1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572253-A Synthesis process of manidipine hydrochloride raw material medicine 许昌恒生制药有限公司 2023-01-06 CN disclosed
US-5569774-A Process for the preparation of chlorine-substituted olefins BASF AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed