SCHEMBL18952946

SCHEMBL18952946

CC(C)(C)c1cc(C#N)ccc1Oc1ncc(N2C(=O)NC(=O)C2(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
ESRRB O95718 1/20 0.34
ESR1 P03372 1/20 0.34
ESRRA P11474 1/20 0.34
ESRRG P62508 1/20 0.34
ESR2 Q92731 1/20 0.34
ALK Q9UM73 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17554782 0.89 KMT2A (0.33) ESRRBESR1ESRRAESRRGESR2
SCHEMBL18952970 0.89 AR (0.36) ARESRRBESR1ESRRAESRRG
SCHEMBL1980146 0.88 AR (0.44) ARESRRBESR1ESRRAESRRG
SCHEMBL18953024 0.80 AR (0.45) ARESRRBESR1ESRRAESRRG
SCHEMBL1979175 0.79 AR (0.44) ARESRRBESR1ESRRAESRRG
SCHEMBL18952974 0.79 MMP13 (0.33) ARESRRBESR1ESRRAESRRG
SCHEMBL13720756 0.78 ELANE (0.34) ARESRRBESR1ESRRAESRRG
SCHEMBL30939559 0.78 ELANE (0.34) ARESRRBESR1ESRRAESRRG
SCHEMBL17354637 0.76 AR (0.40) ARL3MBTL1
SCHEMBL21610138 0.76 AR (0.39) ARESRRBESR1ESRRAESRRG

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-3386506-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN Autifony Therapeutics Limited (GB) 2018-10-17 EP disclosed
WO-2017098254-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-15 WO disclosed