SCHEMBL9138271

SCHEMBL9138271

COn1c(C)nn(-c2cc(F)c(C#N)cc2F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM5A P29375 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
USP14 P54578 1/20 0.31
DHODH Q02127 2/20 0.30
KDM4E B2RXH2 1/20 0.30
BCAT2 O15382 2/20 0.30
BCAT1 P54687 2/20 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
SCHEMBL9137180 0.89 ALDH1A1 (0.41) ALDH1A1DHODHBCAT2BCAT1
SCHEMBL9141549 0.89 NR1I2 (0.35) DHODHBCAT2BCAT1
SCHEMBL9138522 0.89 PPOX (0.37) ALDH1A1BCAT2BCAT1
SCHEMBL9139456 0.85 TP53 (0.35) CYP11B1CYP11B2DHODHBCAT2BCAT1
SCHEMBL9248057 0.84 TRPV4 (0.34) TRPV4DHODHBCAT2BCAT1
SCHEMBL9138508 0.81 DHODH (0.35) DHODH
SCHEMBL9138504 0.81 AR (0.37) DHODH
SCHEMBL8786897 0.80 TRPV4 (0.33) TRPV4ALDH1A1USP14KDM4E
SCHEMBL8787649 0.80 TRPV4 (0.33) TRPV4ALDH1A1USP14DHODHKDM4E
SCHEMBL9138501 0.78 DHODH (0.32) DHODH

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-5378681-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-01-03 US claimed