SCHEMBL5848936

SCHEMBL5848936

Cc1cc(N=C=O)c(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TRPA1 O75762 1/20 0.40
TRPV4 Q9HBA0 2/20 0.35
KHK P50053 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
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
SCHEMBL6594425 0.84 TRPV4 (0.47) CYP3A4TRPA1TRPV4KHKALDH1A1
SCHEMBL9837020 0.80 CYP3A4 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL13354466 0.76 CYP3A4 (0.40) CYP3A4TRPA1TRPV4ALDH1A1HPGD
SCHEMBL26726215 0.76 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL5846557 0.75 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL8245907 0.75 TRPV4 (0.33) TRPV4TSHRAR
SCHEMBL9836795 0.75 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL12058645 0.75 TRPV4 (0.46) TRPV4KHKALDH1A1TSHRAR
SCHEMBL27429577 0.75 TRPV4 (0.34) TRPV4KHKALDH1A1
SCHEMBL14932734 0.73 TRPV4 (0.45) TRPV4KHKTSHRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992044-B1 Substituted phenyluracils BAYER CROPSCIENCE AG (DE) 2006-01-31 US disclosed