SCHEMBL2875640

SCHEMBL2875640

N#CCC(=O)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
ACP3 P15309 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PTGER4 P35408 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK8 P45983 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43
MTNR1A P48039 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL30774302 0.84 TDP1 (0.74) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL7565966 0.84 TDP1 (0.74) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL31204231 0.79 TDP1 (0.67) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL4070603 0.77 TDP1 (0.65) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL29875700 0.77 TDP1 (0.65) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL18489066 0.77 TDP1 (0.65) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL9678690 0.77 TDP1 (0.69) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL9678693 0.77 TDP1 (0.69) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL2266756 0.76 MCL1 (0.62) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL11525938 0.76 EPHX1 (0.48) TDP1MEN1KMT2AATML3MBTL1

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
WO-2010083501-A2 ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 WO disclosed
WO-2010083501-A2 ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 WO disclosed