SCHEMBL18952974

SCHEMBL18952974

CC[C@]1(C)C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)cc2C(C)(C)C)nc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.33
TRPV4 Q9HBA0 1/20 0.32
ROCK2 O75116 3/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.31
SRC P12931 1/20 0.31
SYK P43405 1/20 0.31
MAPK12 P53778 1/20 0.31
ESRRB O95718 1/20 0.30
ESR1 P03372 1/20 0.30
ESRRA P11474 1/20 0.30
ESRRG P62508 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 1/20 0.30
AR P10275 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
SCHEMBL17554782 0.90 KMT2A (0.33) TRPV4ROCK2KMT2AELANEESRRB
SCHEMBL18952970 0.90 AR (0.36) MMP13TRPV4SRCSYKMAPK12
SCHEMBL18952943 0.84 PTGDR2 (0.37) MMP13TRPV4HSD11B1HSD11B2AR
SCHEMBL18953024 0.81 AR (0.45) MMP13ELANEESRRBESR1ESRRA
SCHEMBL1979370 0.81 ELANE (0.35) TRPV4ELANEESRRBESR1ESRRA
SCHEMBL30939539 0.81 ELANE (0.35) TRPV4ELANEESRRBESR1ESRRA
SCHEMBL1979175 0.80 AR (0.44) KMT2ASRCSYKMAPK12ESRRB
SCHEMBL18952957 0.80 ROCK2 (0.31) MMP13TRPV4ROCK2SRCSYK
SCHEMBL18952947 0.79 MMP13 (0.35) MMP13TRPV4ROCK2ELANEHSD11B1
SCHEMBL18952946 0.79 AR (0.36) ESRRBESR1ESRRAESRRGESR2

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