SCHEMBL7951617

SCHEMBL7951617

O=C(O)c1c(C2=NC3C=CC=CC3N2C(F)F)csc1NC(=O)C1Cc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.37
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ MEN1 O00255 8/20 0.33
▸ KMT2A Q03164 8/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ LMNA P02545 3/20 0.32

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
SCHEMBL1950495 0.72 MEN1 (0.49) GLSNFKB1NFKB2RELAMEN1
SCHEMBL7955760 0.72 KMT2A (0.43) GLSNFKB1NFKB2RELAHDAC3
SCHEMBL7951000 0.71 NFKB1 (0.42) GLSNFKB1NFKB2RELAHDAC3
SCHEMBL7950069 0.70 NFKB1 (0.42) GLSNFKB1NFKB2RELAHDAC3
SCHEMBL7945422 0.68 NFKB1 (0.41) GLSNFKB1NFKB2RELAMEN1
SCHEMBL1950210 0.64 ANO1 (0.55) GLS
SCHEMBL1954085 0.61 ANO1 (0.53) GLSMEN1KMT2ARAB9ANPC1
SCHEMBL12271221 0.61 MEN1 (0.56) GLSMEN1KMT2ARAB9ALMNA
SCHEMBL12271719 0.61 ANO1 (0.57) MEN1KMT2A
SCHEMBL1954594 0.60 ANO1 (0.53) MEN1KMT2ARAB9ALMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 — — WO disclosed
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