SCHEMBL4821066

SCHEMBL4821066

O=C(Nc1ncccc1Br)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
SLC40A1 Q9NP59 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 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
SCHEMBL5044753 0.83 L3MBTL1 (0.47) KDM4EL3MBTL1ALDH1A1SMN1; SMN2PDK1
SCHEMBL15104669 0.79 RAB9A (0.46) KDM4EL3MBTL1ALDH1A1SMN1; SMN2EGFR
SCHEMBL374899 0.77 KMT2A (0.46) KDM4EL3MBTL1SMN1; SMN2EGFRERBB2
SCHEMBL6902503 0.77 MAPT (0.42) KDM4EL3MBTL1ALDH1A1SMN1; SMN2EGFR
SCHEMBL26674772 0.77 CA2 (0.41) KDM4EL3MBTL1ALDH1A1CA2CA12
SCHEMBL2077257 0.77 SLC40A1 (0.49) KDM4ESLC40A1ALDH1A1PDK1PDK2
SCHEMBL7908594 0.75 LMNA (0.48) L3MBTL1ALDH1A1SMN1; SMN2PDK1PDK2
SCHEMBL18489422 0.73 TGM2 (0.46) EGFRERBB2
SCHEMBL27742417 0.73 GAA (0.45) KDM4EL3MBTL1ALDH1A1SMN1; SMN2EGFR
SCHEMBL29476654 0.73 METAP1 (0.46) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed