SCHEMBL18503779

SCHEMBL18503779

CN(C)c1ccc2c(c1)OC1=CC(N(C)C)C=CC1=C2c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL18441261 0.84 KMT2A (0.31) POLBKMT2A
SCHEMBL24784397 0.83 TDP1 (0.30) —
SCHEMBL14452143 0.79 POLB (0.33) POLB
SCHEMBL17448856 0.79 TSHR (0.34) MEN1NPC1KMT2A
SCHEMBL14597222 0.76 SLC5A2 (0.36) —
SCHEMBL26849892 0.75 TP53 (0.32) POLBKMT2A
SCHEMBL24596665 0.75 HDAC1 (0.30) —
SCHEMBL14013330 0.74 MAPT (0.32) —
SCHEMBL9000066 0.74 SMN1; SMN2 (0.40) SLC16A3MEN1NPC1POLBKMT2A
SCHEMBL18882644 0.73 — —

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
US-20170045525-A1 GLUTATHIONE-DETECTING FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2017-02-16 — — US disclosed
US-20170045525-A1 GLUTATHIONE-DETECTING FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2017-02-16 — — US disclosed
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