SCHEMBL8199735

SCHEMBL8199735

COC(=O)c1sccc1OCCCC=CCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 4/20 0.56
CYP1A2 P05177 2/20 0.56
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 9/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9667534 0.79 KMT2A (0.74) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL20505231 0.78 KMT2A (0.77) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL4331526 0.77 KMT2A (1.00) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL9580689 0.77 KMT2A (0.70) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL28272334 0.76 KMT2A (0.69) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL2453740 0.73 KMT2A (0.64) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL18095045 0.72 KMT2A (1.00) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL8119446 0.71 KMT2A (0.65) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL922692 0.70 KMT2A (0.69) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL23152660 0.70 KMT2A (0.68) KMT2AMEN1CYP1A2LMNAMAPT

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
WO-2000064904-A1 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2000-11-02 WO disclosed