SCHEMBL9501914

SCHEMBL9501914

CCCCCCCOCCCOCCCC(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CETP P11597 2/20 0.52
SOAT1 P35610 2/20 0.51
ALOX12 P18054 1/20 0.48
PLK1 P53350 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
EP300 Q09472 1/20 0.47
POLB P06746 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
SCHEMBL9504068 0.88 CETP (0.46) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL5010196 0.85 CETP (0.63) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL30107585 0.81 HPGD (0.46) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL23073777 0.81 ALDH1A1 (0.57) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL30107591 0.80 KDM4E (0.48) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL7627006 0.80 ALDH1A1 (0.67) KMT2AALDH1A1LMNAMAPTCYP3A4
SCHEMBL7632579 0.80 ALDH1A1 (0.67) KMT2AALDH1A1LMNAMAPTCYP3A4
SCHEMBL7632457 0.80 ALDH1A1 (0.67) KMT2AALDH1A1LMNAMAPTCYP3A4
SCHEMBL7627798 0.80 ALDH1A1 (0.67) KMT2AALDH1A1LMNAMAPTCYP3A4
SCHEMBL7635989 0.80 ALDH1A1 (0.67) KMT2AALDH1A1LMNAMAPTCYP3A4

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
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed