SCHEMBL22017894

SCHEMBL22017894

O=C(O)CC[n+]1ccc(C(=O)NCCc2ncccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
TBXAS1 P24557 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL22017896 0.82 PSMD14 (0.47) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL22018316 0.81 MAPK1 (0.38) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL22018689 0.81 LMNA (0.54) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL22018099 0.79 MAPK1 (0.35) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL22018688 0.79 MAPK1 (0.37) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL22018692 0.79 MAPK1 (0.37) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL22018673 0.78 APOBEC3A (0.52) RAB9ASMN1; SMN2HDAC6MAPK1
SCHEMBL22018304 0.78 GABRA5 (0.39) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL24145392 0.77 CA1 (0.37) KMT2ACYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL22018297 0.76 BAZ2B (0.39) SMN1; SMN2HDAC6KDM4EKDM5BHTT

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed