SCHEMBL28650264

SCHEMBL28650264

NCCNOC(=O)C(c1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.45
CTSD P07339 1/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL29047738 0.98 KLK7 (0.46) KLK7CTSDCHRM1CHRM3CHRM2
SCHEMBL2806899 0.85 LMNA (0.46) CHRM1CHRM3CHRM2CHRM4TDP1
SCHEMBL11785596 0.84 CNR1 (0.40) KLK7TDP1CNR1CNR2LMNA
SCHEMBL29214557 0.83 MTNR1A (0.39) TDP1ALDH1A1KMT2A
SCHEMBL29047733 0.81 MTNR1A (0.40) TDP1ALDH1A1KMT2A
SCHEMBL544737 0.78 TSHR (0.35) TDP1
SCHEMBL9373535 0.78 LMNA (0.51) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL14080023 0.78 KLK7 (0.49) KLK7CTSDCHRM1CHRM3CHRM2
SCHEMBL28331098 0.74 CTSD (0.50) KLK7CTSDCHRM1CHRM3CHRM2
SCHEMBL3174576 0.74 CTSD (0.50) KLK7CTSDCHRM1CHRM3CHRM2

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-119332097-A Ammonia low-temperature heap leaching method for copper sulfide ore 中国科学院过程工程研究所 2025-01-21 CN claimed
CN-115774067-B Detection kit for detecting antiepileptic drugs in serum by high performance liquid chromatography-tandem mass spectrometry and detection method thereof 浙江迪赛思诊断技术有限公司 2023-08-22 CN claimed
CN-113652200-B Self-assembled nano silicon dioxide abrasive, polishing solution containing abrasive and application 浙江奥首材料科技有限公司 2022-08-02 CN disclosed
CN-113652200-A Self-assembled nano silicon dioxide abrasive, polishing solution containing abrasive and application 浙江奥首材料科技有限公司 2021-11-16 CN disclosed