SCHEMBL28577491

SCHEMBL28577491

CCOC(=O)c1nnn(-c2cccn2C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ELANE P08246 4/20 0.40
ADORA3 P0DMS8 3/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TSHR P16473 2/20 0.37
SPR P35270 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36

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
SCHEMBL26007506 0.80 TRIM24 (0.33) TSHRALDH1A1
SCHEMBL26007511 0.80 ALOX15 (0.35) SMN1; SMN2ALDH1A1KMT2AJMJD6
SCHEMBL30100290 0.79 TRIM24 (0.33) ADORA3ADORA2AADORA1ALDH1A1LMNA
SCHEMBL2043767 0.78 TP53 (0.55) TP53ALOX12ADORA2AADORA1TSHR
SCHEMBL29254943 0.74 CA12 (0.49) TP53ALOX12SMN1; SMN2ADORA2AADORA1
SCHEMBL25415963 0.74 FAAH (0.53) ADORA3TP53ALOX12SMN1; SMN2ADORA2A
SCHEMBL28568156 0.74 L3MBTL1 (0.43) CYP1A2ADORA3TP53ALOX12ADORA2A
SCHEMBL1999421 0.74 SMN1; SMN2 (0.48) CYP1A2ELANETP53ALOX12SMN1; SMN2
SCHEMBL22768993 0.73 PDE4D (0.53) CYP1A2ADORA3TP53ALOX12SMN1; SMN2
SCHEMBL12442229 0.73 NPC1 (0.52) ELANESMN1; SMN2ALDH1A1LMNAKMT2A

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-113866425-A Single cell protein digital imaging detection method 上海交通大学 2021-12-31 CN claimed
CN-115558708-A Trace nucleic acid detection method based on photosensitive gel 上海交通大学 2023-01-03 CN disclosed
CN-112964881-B High-throughput high-sensitivity single cell transfection protein analysis chip 上海交通大学 2022-12-06 CN disclosed
CN-113866425-A Single cell protein digital imaging detection method 上海交通大学 2021-12-31 CN disclosed
CN-112964881-A High-throughput high-sensitivity single cell transfection protein analysis chip 上海交通大学 2021-06-15 CN disclosed