SCHEMBL4728560

SCHEMBL4728560

N#C/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.53
MAOB P27338 8/20 0.49
P4HB P07237 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
MAOA P21397 1/20 0.41
BACE1 P56817 1/20 0.41
TNF P01375 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
IL6 P05231 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5644762 1.00 NFKB1 (0.53) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL9683791 0.84 NFKB1 (0.38) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL9681814 0.82 NFKB1 (0.37) NFKB1MAOBLMNA
SCHEMBL9514028 0.82 NFKB1 (0.37) NFKB1MAOBLMNA
SCHEMBL2396436 0.81 NFKB1 (0.58) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL4281994 0.81 NFKB1 (0.58) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL9682815 0.80 NOTUM (0.37) NFKB1MAOBLMNA
SCHEMBL10383610 0.79 KDM4E (0.40) LMNAMEN1KMT2A
SCHEMBL19052385 0.78 NFKB1 (0.50) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL7016426 0.77 APP (0.39) MAOBMAPTKMT2A

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-2008035381-A2 PROCESS FOR THE PREPARATION OF AMINE DERIVATIVES AS CALCIMIMETICS IND-SWIFT LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed