SCHEMBL6606670

SCHEMBL6606670

COC(=O)c1c(OCC(F)(F)F)c(C#N)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 3/20 0.41
SLC2A1 P11166 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NCEH1 Q6PIU2 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MALT1 Q9UDY8 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL6606632 0.87 MEN1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6603583 0.86 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EL3MBTL1NPSR1
SCHEMBL6229441 0.83 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4673550 0.81 NCEH1 (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10699646 0.79 NCEH1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6605993 0.79 LMNA (0.45) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4676934 0.76 MEN1 (0.45) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6510652 0.76 NCEH1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6603195 0.76 POLB (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6508770 0.75 POLB (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed