SCHEMBL27953563

SCHEMBL27953563

C=CC(=O)Oc1ccccc1C1=NN(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.57
▸ MEN1 O00255 7/20 0.57
▸ ATM Q13315 4/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ PDE5A O76074 4/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NR3C2 P08235 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ KIF11 P52732 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL5394457 0.73 MEN1 (0.69) KMT2AMEN1ATMHSP90AA1KDM4E
SCHEMBL29733244 0.71 FABP3 (0.49) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL35121 0.71 FABP3 (0.49) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL10871851 0.71 THRB (0.51) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL30007447 0.71 THRB (0.51) KMT2AMEN1KDM4EALDH1A1HTT
Biphenyl SCHEMBL27827806 0.70 FABP3 (0.48) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL12495092 0.70 PDE5A (1.00) ATMPDE5AL3MBTL1NR3C2GLA
SCHEMBL11206659 0.69 MEN1 (0.66) KMT2AMEN1ATMHSP90AA1KDM4E
SCHEMBL23052404 0.68 MEN1 (0.73) KMT2AMEN1ATMHSP90AA1KDM4E
SCHEMBL14338087 0.68 MEN1 (0.69) KMT2AMEN1ATMHSP90AA1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103601679-B Reduced glutathione fluorescent probe with pyrazoline as maternal body UNIV SHANDONG 2015-04-22 — — CN disclosed
CN-103601679-A Reduced glutathione fluorescent probe with pyrazoline as maternal body UNIV SHANDONG 2014-02-26 — — CN disclosed
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