SCHEMBL9900459

SCHEMBL9900459

Cc1onc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.43
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL9905740 0.84 AR (0.42) ARCPT2CPT1ACPT1BPOLB
SCHEMBL30939596 0.78 AR (0.47) ARPOLBLMNATSHRMAPK1
SCHEMBL1982664 0.78 AR (0.47) ARPOLBLMNATSHRMAPK1
SCHEMBL9900752 0.73 ALDH1A1 (0.41) POLBTSHRMAPK1MEN1CYP1A2
SCHEMBL22026242 0.73 AR (0.47) ARLMNATSHRMAPK1HTT
SCHEMBL1191959 0.73 AR (0.55) ARLMNATSHRMAPK1HTT
SCHEMBL30939585 0.69 SMN1; SMN2 (0.51) ARLMNATSHRMAPK1HTT
SCHEMBL1978201 0.69 SMN1; SMN2 (0.51) ARLMNATSHRMAPK1HTT
SCHEMBL1773418 0.69 AR (0.54) ARLMNASMN1; SMN2ELANEALDH1A1
SCHEMBL13039115 0.67 POLB (0.67) ARPOLBMAPK1RAB9AELANE

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 7 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
EP-2852588-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2015-04-01 EP disclosed
WO-2013182851-A1 PROPHYLAXIS OR TREATMENT OF DISEASES WHERE A MODULATOR OF KV3.3 CHANNELS IS REQUIRED AUTIFONY THERAPEUTICS LIMITED (GB) 2013-12-12 WO disclosed
WO-2013175211-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2013-11-28 WO disclosed
EP-2649066-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2013-10-16 EP disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed