SCHEMBL29634253

SCHEMBL29634253

CCOC(=O)c1nc2ccccc2c2occc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 5/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 4/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4121482 0.82 POLB (0.56) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL28977964 0.75 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL10756337 0.75 MAPT (0.61) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL16504846 0.75 KDM4E (0.53) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL6822555 0.75 KDM4E (0.53) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL28345153 0.75 KDM4E (0.55) KMT2ASMN1; SMN2MEN1MAPTTDP1
SCHEMBL28341957 0.75 KDM4E (0.55) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL6822680 0.74 KDM4E (0.55) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL753481 0.74 POLB (0.51) KMT2ASMN1; SMN2MEN1GAAMAPT
SCHEMBL28880876 0.74 KMT2A (0.53) KMT2ASMN1; SMN2MEN1GAAMAPT

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-110627721-B Phenanthridine compound and synthesis method thereof 陕西科技大学 2022-06-14 CN disclosed