SCHEMBL28291405

SCHEMBL28291405

Cc1ccccc1C(=O)NCC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
P2RX7 Q99572 4/20 0.54
PKM P14618 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KDM1A O60341 1/20 0.47
HTT P42858 1/20 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
SCHEMBL22122924 0.90 P2RX7 (0.55) SMN1; SMN2P2RX7
SCHEMBL8289085 0.87 RAB9A (0.53) SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL13164062 0.86 RAB9A (0.56) SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL13164058 0.82 MEN1 (0.56) SMN1; SMN2P2RX7MAPTALDH1A1HPGD
SCHEMBL14335466 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDKDM1AHTT
SCHEMBL13162928 0.79 L3MBTL1 (0.62) PKMPOLBALDH1A1
SCHEMBL13164059 0.78 MEN1 (0.66) POLBALDH1A1HPGD
SCHEMBL12301999 0.78 CYP3A4 (0.60) SMN1; SMN2PKMMAPTALDH1A1CYP1A2
SCHEMBL2362567 0.76 POLB (0.66) SMN1; SMN2POLBMAPTALDH1A1HPGD
SCHEMBL10013747 0.76 HTT (0.72) SMN1; SMN2PKMMAPTALDH1A1HPGD

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-104350055-B Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator 新加坡科技研究局 2019-05-31 CN disclosed