SCHEMBL28519744

SCHEMBL28519744

O=C(O)c1ccccc1NCCc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HPGD P15428 2/20 0.63
KDM4E B2RXH2 2/20 0.63
LMNA P02545 1/20 0.63
PTGER4 P35408 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MTNR1A P48039 2/20 0.55
SLC16A3 O15427 1/20 0.53
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
POLB P06746 1/20 0.48
CDC25B P30305 2/20 0.48
CLCN2 P51788 1/20 0.48
NQO2 P16083 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL5621838 0.81 MEN1 (0.76) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL3486077 0.80 MTNR1A (0.62) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL11186472 0.80 NR4A1 (0.63) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL29388082 0.79 ALDH1A1 (0.58) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL7217415 0.79 NQO2 (0.56) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL11382923 0.78 HPGD (0.59) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL8689214 0.78 ALDH1A1 (0.79) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL28605598 0.77 KMT2A (1.00) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL1147050 0.77 CDC25B (0.71) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL30519263 0.77 CDC25B (0.71) MEN1KMT2AHPGDKDM4ELMNA

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-112262121-A Novel process for the preparation of tapentadol 法尔玛赞公司 2021-01-22 CN disclosed