SCHEMBL8368024

SCHEMBL8368024

CCOC(=O)N/N=C(\c1ccc(Cl)cc1)c1ccc(C(C)(C)[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
ALOX12 P18054 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL8368026 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HPGDPKMCYP1A2CYP2C19
SCHEMBL10971917 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HPGDPKMMAPTALDH1A1
SCHEMBL8395979 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPKMCYP1A2CYP2C19
SCHEMBL11052170 0.77 L3MBTL1 (0.59) SMN1; SMN2HPGDMAPTALDH1A1GAA
SCHEMBL8004775 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HPGDPKMCYP1A2CYP2C19
SCHEMBL9804683 0.74 SMN1; SMN2 (0.54) SMN1; SMN2HPGDPKMCYP1A2CYP2C19
SCHEMBL9804687 0.74 SMN1; SMN2 (0.54) SMN1; SMN2HPGDPKMCYP1A2CYP2C19
SCHEMBL14359273 0.74 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPKMCYP1A2CYP2C19
SCHEMBL11327733 0.74 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPKMCYP1A2MAPT
SCHEMBL8007278 0.74 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPKMCYP1A2CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11001458-A None JP disclosed
JP-H111458-A BENZOPHENONE HYDRAZONE DERIVATIVE AND INSECTICIDE NIPPON BAYERAGROCHEM KK 1999-01-06 JP disclosed