SCHEMBL3250770

SCHEMBL3250770

CCCCCCCCCCCCCC(Cc1cccnc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FAAH O00519 3/20 0.46
▸ MMP2 P08253 10/20 0.46
▸ MMP1 P03956 5/20 0.46
▸ MMP3 P08254 5/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ FDPS P14324 1/20 0.44
▸ MMP7 P09237 1/20 0.43

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
SCHEMBL21896075 0.83 TBXAS1 (0.56) TDP1L3MBTL1PKMKMT2AFDPS
SCHEMBL28211408 0.83 MMP2 (0.57) MMP2MMP1MMP3MMP7
SCHEMBL29058185 0.83 TDP1 (0.60) TDP1L3MBTL1FAAHTRPV1LMNA
SCHEMBL5017227 0.83 MMP2 (0.57) MMP2MMP1MMP3MMP7
SCHEMBL21871095 0.83 TDP1 (0.60) TDP1L3MBTL1FAAHTRPV1LMNA
SCHEMBL24826302 0.83 TDP1 (0.60) TDP1L3MBTL1FAAHTRPV1LMNA
SCHEMBL22857480 0.81 TDP1 (0.58) TDP1L3MBTL1FAAHTRPV1LMNA
SCHEMBL2945682 0.81 MMP2 (0.55) MMP2MMP1MMP3MMP7
SCHEMBL1741940 0.80 TDP1 (0.57) TDP1L3MBTL1PKMKMT2AFAAH
SCHEMBL23844525 0.80 TDP1 (0.57) TDP1L3MBTL1FAAHTRPV1LMNA

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-1987152-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CHIRAL AMINES LONZA AG (CH) 2010-05-26 — — EP claimed
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