SCHEMBL9070950

SCHEMBL9070950

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCOCC4)cc3)nc(OC(C)C)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV4 Q9HBA0 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 4/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 5/20 0.48
CYP3A4 P08684 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
SCHEMBL9070831 0.93 MAPK1 (0.53) ALDH1A1MAPK1HTTSMN1; SMN2MEN1
SCHEMBL2667699 0.93 ALDH1A1 (0.55) ALDH1A1MAPK1HTTSMN1; SMN2MEN1
SCHEMBL2667782 0.92 ALDH1A1 (0.53) ALDH1A1MAPK1HTTSMN1; SMN2TRPV4
SCHEMBL9070994 0.92 MAPK1 (0.51) ALDH1A1MAPK1HTTSMN1; SMN2MEN1
SCHEMBL9070953 0.92 SCD (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL9070840 0.91 ALDH1A1 (0.54) ALDH1A1MAPK1HTTSMN1; SMN2TRPV4
SCHEMBL2667729 0.88 ALDH1A1 (0.73) ALDH1A1MAPK1HTTSMN1; SMN2TRPV4
SCHEMBL9071053 0.86 GCK (0.55) ALDH1A1MAPK1HTTSMN1; SMN2MEN1
SCHEMBL2667974 0.86 GCK (0.53) ALDH1A1MAPK1HTTSMN1; SMN2MEN1
SCHEMBL2667758 0.85 MAPK1 (0.63) ALDH1A1MAPK1HTTSMN1; 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
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed