SCHEMBL18952970

SCHEMBL18952970

CC(C)(C)c1cc(C#N)ccc1Oc1ccc(N2C(=O)NC(=O)C2(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.36
MMP13 P45452 7/20 0.35
ESRRB O95718 1/20 0.33
ESR1 P03372 1/20 0.33
ESRRA P11474 1/20 0.33
ESRRG P62508 1/20 0.33
ESR2 Q92731 1/20 0.33
SRC P12931 1/20 0.31
SYK P43405 1/20 0.31
MAPK12 P53778 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
NR3C1 P04150 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
SCHEMBL18953024 0.91 AR (0.45) ARMMP13ESRRBESR1ESRRA
SCHEMBL18952974 0.90 MMP13 (0.33) ARMMP13ESRRBESR1ESRRA
SCHEMBL18952946 0.89 AR (0.36) ARESRRBESR1ESRRAESRRG
SCHEMBL1979175 0.88 AR (0.44) ARESRRBESR1ESRRAESRRG
SCHEMBL18952947 0.85 MMP13 (0.35) ARMMP13TRPV4HSD11B1HSD11B2
SCHEMBL18952995 0.82 PTGDR2 (0.38) ARMMP13HSD11B1HSD11B2
SCHEMBL19805319 0.80 SRC (0.31) ESRRBESR1ESRRAESRRGESR2
SCHEMBL1980831 0.80 AR (0.53) ARESRRBESR1ESRRAESRRG
SCHEMBL1979370 0.79 ELANE (0.35) ARESRRBESR1ESRRAESRRG
SCHEMBL30939539 0.79 ELANE (0.35) 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