SCHEMBL28041307

SCHEMBL28041307

COC(=O)CC(C)=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.62
FBP1 P09467 1/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.49
NFE2L2 Q16236 2/20 0.49
GAA P10253 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL10375527 0.90 GLO1 (0.59) GLO1FBP1KMT2AALDH1A1LMNA
SCHEMBL18467655 0.81 GLO1 (0.66) GLO1FBP1KMT2AALDH1A1LMNA
SCHEMBL7265045 0.80 GLO1 (0.73) GLO1FBP1KMT2AALDH1A1LMNA
SCHEMBL10668026 0.80 GAA (0.59) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL7266510 0.80 GAA (0.59) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL31148881 0.80 GAA (0.59) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL28270166 0.79 GLO1 (0.59) GLO1FBP1KMT2AALDH1A1LMNA
SCHEMBL30477011 0.78 GLO1 (0.79) GLO1FBP1KMT2AALDH1A1LMNA
SCHEMBL6271817 0.78 GLO1 (0.79) GLO1FBP1KMT2AALDH1A1LMNA
SCHEMBL30296654 0.78 GLO1 (0.79) GLO1FBP1KMT2AALDH1A1LMNA

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-105061297-A Preparation method for synthesizing nicardipine hydrochloride SHAANXI CHANGXIANG PHARMACEUTICAL CO LTD 2015-11-18 CN claimed
CN-119613324-A Preparation method of nicardipine hydrochloride 广州市桐晖药业有限公司 2025-03-14 CN disclosed
CN-105061297-A Preparation method for synthesizing nicardipine hydrochloride SHAANXI CHANGXIANG PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed