SCHEMBL9285320

SCHEMBL9285320

CC(=O)Nc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3Br)[nH]c2=O)cc1.CC(=O)Nc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3C(F)(F)F)[nH]c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 10/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL6380177 0.94 MAOA (0.43) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6380185 0.94 MAOA (0.43) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6374925 0.91 MAOA (0.44) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6374936 0.91 MAOA (0.44) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6371814 0.80 SMN1; SMN2 (0.46) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6371821 0.80 SMN1; SMN2 (0.46) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6376092 0.78 SERPINE1 (0.56) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL6376088 0.78 SERPINE1 (0.56) SERPINE1MAOAMAOBKMT2AMAPT
SCHEMBL8596135 0.74 KMT2A (0.53) SERPINE1KMT2AMAPTMEN1POLB
SCHEMBL8596133 0.74 KMT2A (0.53) SERPINE1KMT2AMAPTMEN1POLB

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
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP claimed
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