Sugi Predict

Sugi Predict / Compounds / SCHEMBL4408307

SCHEMBL4408307

SCHEMBL4408307

Cc1ccc(NC(=O)c2cccc(CC(C)(C)C)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 18/20 0.42
▸ BRAF P15056 18/20 0.42
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAC1 P63000 1/20 0.39

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
SCHEMBL4412427 0.93 RAF1 (0.40) RAF1BRAFGLAHTTL3MBTL1
SCHEMBL4417419 0.91 GLA (0.48) RAF1BRAFGLAHTTL3MBTL1
SCHEMBL4565727 0.89 NR1H4 (0.48) RAF1BRAF
SCHEMBL4551203 0.89 CYP1A2 (0.45) RAF1BRAF
SCHEMBL4565699 0.89 BRAF (0.45) RAF1BRAF
SCHEMBL4565940 0.88 FFAR1 (0.46) RAF1BRAF
SCHEMBL4565578 0.88 RAF1 (0.46) RAF1BRAF
SCHEMBL4407858 0.88 RAF1 (0.55) RAF1BRAF
SCHEMBL4565554 0.88 BRAF (0.47) RAF1BRAF
SCHEMBL4413519 0.88 HSP90AA1 (0.49) RAF1BRAFRAC1

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
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 — — EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 — — WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 — — WO disclosed