SCHEMBL2373302

SCHEMBL2373302

CCOc1cccc2c(C(=O)OC)c(CBr)c(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.42
CTSA P10619 4/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KIFC1 Q9BW19 1/20 0.38
NAMPT P43490 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL2371971 0.89 DHODH (0.45) RORBCTSAMAPTMEN1KMT2A
SCHEMBL2373599 0.87 MAPT (0.41) RORBCTSAMAPTMEN1KMT2A
SCHEMBL2372846 0.84 CTSA (0.41) RORBCTSAMAPTMEN1KMT2A
SCHEMBL2373287 0.83 TRPV4 (0.52) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL2372559 0.82 TRPV4 (0.50) KDM4E
SCHEMBL2372709 0.82 CTSA (0.40) RORBCTSAMAPTMEN1KMT2A
SCHEMBL2372623 0.82 TRPV4 (0.38) RORBCTSAMAPTMEN1KMT2A
SCHEMBL2372098 0.82 TRPV4 (0.40) MAPTMEN1KMT2AKDM4ENAMPT
SCHEMBL2372311 0.82 TRPV4 (0.40) CTSAMAPTMEN1KMT2AKIFC1
SCHEMBL2373467 0.81 DHODH (0.52) RORBCTSAMAPTMEN1KMT2A

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed