SCHEMBL4315605

SCHEMBL4315605

CC1(C)OB(c2ccccc2OC(F)F)OC1(C)C.FC(F)Oc1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LPL P06858 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ LIPE Q05469 6/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ALOX12 P18054 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CXCR2 P25025 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
SCHEMBL263386 0.91 LPL (0.39) KMT2AHTTLPLLIPGTNF
SCHEMBL29574549 0.91 LPL (0.39) KMT2AHTTLPLLIPGTNF
SCHEMBL2026497 0.78 LPL (0.38) KMT2ALPLLIPGTNFLIPE
SCHEMBL31648336 0.78 JAK2 (0.38) LPLLIPGTNFLIPE
SCHEMBL25368607 0.77 LPL (0.31) LPLLIPG
SCHEMBL29819809 0.76 DRD1 (0.42) KMT2AHTTMEN1TNFHTR1A
SCHEMBL264299 0.76 DRD1 (0.42) KMT2AHTTMEN1TNFHTR1A
SCHEMBL26197525 0.76 LPL (0.33) LPLLIPGTNFBACE1
SCHEMBL13727784 0.75 LPL (0.41) LPLLIPGTNFCXCR2
SCHEMBL29878543 0.75 LPL (0.41) LPLLIPGTNFCXCR2

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
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 — — EP disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 — — WO disclosed
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