SCHEMBL8973145

SCHEMBL8973145

CCC1CCC(/C=C/C2CCC(c3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
KDM1A O60341 6/20 0.35
CHEK1 O14757 2/20 0.34
FASN P49327 2/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
AR P10275 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ENPP2 Q13822 1/20 0.32
DGKZ Q13574 1/20 0.32
PANK3 Q9H999 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
SCHEMBL8973139 1.00 TRPV4 (0.35) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8973153 1.00 TRPV4 (0.35) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8973150 1.00 TRPV4 (0.35) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8973136 1.00 TRPV4 (0.35) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL7515347 0.92 TRPV4 (0.40) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8053605 0.92 TRPV4 (0.40) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8972249 0.90 CYP2C9 (0.40) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8972243 0.90 CYP2C9 (0.40) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8972232 0.90 CYP2C9 (0.40) TRPV4KDM1ACHEK1FASNCYP11B1
SCHEMBL8972237 0.90 CYP2C9 (0.40) TRPV4KDM1ACHEK1FASNCYP11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6092924-A None JP disclosed
EP-0588291-B1 2-Fluorobenzonitrile derivative CHISSO CORP (JP) 1996-03-27 EP disclosed
US-5370822-A Liquid crystals CHISSO CORPORATION (JP) 1994-12-06 US disclosed
JP-H0692924-A 2-FLUOROBENZONITRILE DERIVATIVE CHISSO CORP 1994-04-05 JP disclosed
EP-0588291-A1 2-Fluorobenzonitrile derivative Chisso Corporation (JP) 1994-03-23 EP disclosed