SCHEMBL28039007

SCHEMBL28039007

CCCC(=N)CC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
KMT2A Q03164 3/20 0.57
CES1 P23141 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.53
CES2 O00748 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PTPN1 P18031 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 3/20 0.47

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
SCHEMBL3163311 0.81 HPGD (0.61) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL9725428 0.80 L3MBTL1 (0.77) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL82532 0.80 L3MBTL1 (0.77) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL25423577 0.80 L3MBTL1 (0.77) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL11522791 0.80 L3MBTL1 (0.77) HPGDKMT2ACES1SMN1; SMN2MEN1
SCHEMBL28578487 0.79 CES1 (0.63) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL28777877 0.79 L3MBTL1 (0.59) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL27921458 0.78 L3MBTL1 (0.74) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL11310788 0.78 L3MBTL1 (0.74) HPGDKMT2ACES1SMN1; SMN2MEN1
Butyrophenone SCHEMBL28260771 0.78 L3MBTL1 (0.74) HPGDKMT2ACES1SMN1; SMN2MEN1

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
CN-105164125-A 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives HOFFMANN LA ROCHE 2015-12-16 CN disclosed