SCHEMBL9435404

SCHEMBL9435404

Cn1c(=O)c(=Cc2ccccc2)[nH]c(=O)c1=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.50
▸ MAOB P27338 2/20 0.41
▸ MAPT P10636 6/20 0.41
▸ APP P05067 4/20 0.41
▸ SNCA P37840 4/20 0.41
▸ METAP1 P53582 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ADORA2B P29275 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ AKR1B1 P15121 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL9187329 1.00 SERPINE1 (0.50) SERPINE1MAOBMAPTAPPSNCA
SCHEMBL8641841 0.87 SERPINE1 (0.56) SERPINE1MAOBMAPTKMT2ASMN1; SMN2
SCHEMBL8641837 0.87 SERPINE1 (0.56) SERPINE1MAOBMAPTKMT2ASMN1; SMN2
SCHEMBL9435600 0.82 SERPINE1 (0.53) SERPINE1MAOBMAPTMEN1KMT2A
SCHEMBL9435397 0.82 SERPINE1 (0.53) SERPINE1MAOBMEN1KMT2ARAB9A
SCHEMBL9435603 0.82 SERPINE1 (0.53) SERPINE1MAOBMAPTMEN1KMT2A
SCHEMBL9187618 0.82 SERPINE1 (0.53) SERPINE1MAOBMEN1KMT2ARAB9A
SCHEMBL6379198 0.81 SERPINE1 (0.56) SERPINE1MAOBMAPTAPPSNCA
SCHEMBL6379195 0.81 SERPINE1 (0.56) SERPINE1MAOBMAPTAPPSNCA
SCHEMBL1166080 0.80 SERPINE1 (0.68) SERPINE1MAPT

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-1994004513-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO disclosed
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