SCHEMBL30674530

SCHEMBL30674530

COc1ccccc1OCCCBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.61
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 2/20 0.59
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HSD17B10 Q99714 2/20 0.51
MIF P14174 1/20 0.51
MAPK1 P28482 1/20 0.51
MTNR1A P48039 1/20 0.50

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
SCHEMBL3066454 1.00 L3MBTL1 (0.61) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3070239 0.94 L3MBTL1 (0.65) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7820909 0.92 ALDH1A1 (0.65) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30674616 0.89 L3MBTL1 (0.58) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3528579 0.89 L3MBTL1 (0.58) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17911627 0.89 KDM4E (0.52) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29755650 0.89 KDM4E (0.52) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29742239 0.87 L3MBTL1 (0.77) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29742293 0.87 L3MBTL1 (0.70) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1592409 0.84 CA12 (0.68) L3MBTL1TDP1ALDH1A1MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN claimed
CN-117105872-B Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2024-10-15 CN disclosed
CN-117105872-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-24 CN disclosed