SCHEMBL6137845

SCHEMBL6137845

COc1ccc(C(=O)N(Cc2cccc3ccccc23)C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PARP10 Q53GL7 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 1/20 0.46
PARP15 Q460N3 1/20 0.45
MTNR1A P48039 3/20 0.44
SIRT5 Q9NXA8 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MMP9 P14780 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6139870 0.86 L3MBTL1 (0.52) L3MBTL1TDP1KMT2AMEN1PARP10
SCHEMBL6137828 0.81 ACHE (0.56) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL14027622 0.78 TDP1 (0.51) L3MBTL1TDP1KMT2ANPC1RAB9A
SCHEMBL17583595 0.74 L3MBTL1 (0.70) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL9695219 0.74 ACHE (0.70) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL6137598 0.73 DRD2 (0.53) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL6137921 0.71 KDM4E (0.45) ALDH1A1PARP10NPC1RAB9AMTNR1A
SCHEMBL6003647 0.71 LPAR1 (0.53) L3MBTL1TDP1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8767719 0.71 CA1 (0.45) KMT2AMEN1MAPTPARP10HDAC1
SCHEMBL6138031 0.71 CA1 (0.45) KMT2AMEN1ALDH1A1PARP10NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO claimed