SCHEMBL28637400

SCHEMBL28637400

O=c1cc(O)c2ccc(N3CCCC3)cc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ ERCC1 P07992 1/20 0.43
▸ DNASE1 P24855 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ ERCC4 Q92889 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ MET P08581 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL13484139 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ECA12CA9
SCHEMBL22501691 0.82 KDM4E (0.54) ALDH1A1KDM4ECA12CA9CA1
SCHEMBL28656942 0.82 HSD17B10 (0.46) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL24589799 0.81 MAOB (0.55) ALDH1A1KDM4ECA12CA9CA1
SCHEMBL28645900 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL28292847 0.80 MCL1 (0.49) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL1937101 0.79 HSD17B10 (0.53) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL32677438 0.79 HSD17B10 (0.53) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL28651740 0.79 HSD17B10 (0.43) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL18493216 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ECA12CA9CA1

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-113512034-B Synthesis of multi-signal fluorescent probe and simultaneous Cys and SO distinguishing thereof 2 GSH and Hcy 湖南师范大学 2022-08-09 — — CN claimed
CN-113512034-A Synthesis of multi-signal fluorescent probe and simultaneous Cys and SO distinguishing thereof2GSH and Hcy 湖南师范大学 2021-10-19 — — CN claimed
CN-113512034-B Synthesis of multi-signal fluorescent probe and simultaneous Cys and SO distinguishing thereof 2 GSH and Hcy 湖南师范大学 2022-08-09 — — CN disclosed
CN-113512034-A Synthesis of multi-signal fluorescent probe and simultaneous Cys and SO distinguishing thereof2GSH and Hcy 湖南师范大学 2021-10-19 — — CN disclosed
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