SCHEMBL3666440

SCHEMBL3666440

CC(C)(C#N)/N=N/C(C)(C)C#N.O=C1OCc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 5/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
KCNJ1 P48048 8/20 0.42
KCNH2 Q12809 8/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 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
SCHEMBL87174 0.81 MAPT (0.61) PRF1LMNAMAPTGAAKCNJ1
SCHEMBL29492902 0.81 MAPT (0.61) PRF1LMNAMAPTGAAKCNJ1
SCHEMBL29366960 0.70 PRF1 (0.65) PRF1LMNAMAPTGAAKCNJ1
SCHEMBL1641 0.70 PRF1 (0.65) PRF1LMNAMAPTGAAKCNJ1
SCHEMBL29580859 0.70 ALDH1A1 (0.51) PRF1LMNAMAPTGAAALDH1A1
SCHEMBL28895323 0.70 ALDH1A1 (0.51) PRF1LMNAMAPTGAAALDH1A1
SCHEMBL15192501 0.70 MAPT (0.47) PRF1LMNAMAPTGAAKCNJ1
SCHEMBL14177746 0.69 ALDH1A1 (0.44) PRF1LMNAMAPTGAAKCNJ1
SCHEMBL854664 0.68 MAOA (0.62) LMNAMAPTGAAMAOAMAOB
SCHEMBL29440632 0.68 MAOA (0.62) LMNAMAPTGAAMAOAMAOB

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-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed