SCHEMBL8890587

SCHEMBL8890587

CSc1oc(C(F)(F)F)nc1C#N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
CXCR4 P61073 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8890049 0.75 GAA (0.41) ALDH1A1MEN1HPGDKMT2A
SCHEMBL8890599 0.69 LMNA (0.33) L3MBTL1
SCHEMBL8892182 0.65 GAA (0.35) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL26050978 0.65 MAPT (0.36) KDM4EALDH1A1HPGDNPSR1
SCHEMBL8891398 0.64 MAPT (0.33) KDM4E
SCHEMBL26050979 0.64 GAA (0.48) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL6239456 0.60 CYP1A2 (0.36)
SCHEMBL2774975 0.59 HTT (0.32) KMT2A
SCHEMBL11094469 0.59 MEN1 (0.42) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL25086443 0.59 ELANE (0.31)

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-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed