SCHEMBL29777971

SCHEMBL29777971

CN(C)C(=O)c1ccccc1OCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 5/20 0.43
RBP4 P02753 2/20 0.43
HTT P42858 1/20 0.41
HRH1 P35367 1/20 0.41
SGMS2 Q8NHU3 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12726937 0.81 TRPM8 (0.58) ALDH1A1LMNATRPM8HTTSGMS2
SCHEMBL24627541 0.81 EGFR (0.49) ALDH1A1TDP1
SCHEMBL10102481 0.80 HRH1 (0.40) ALDH1A1KDM4ERBP4HRH1L3MBTL1
SCHEMBL24627820 0.80 L3MBTL1 (0.58) LMNATRPM8HTTSGMS2MAPK1
SCHEMBL524847 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHRH1TSHRMAPK1
SCHEMBL7367495 0.78 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1TDP1L3MBTL1
SCHEMBL29777975 0.78 KMT2A (0.55)
SCHEMBL24627426 0.78 KMT2A (0.55)
SCHEMBL10102483 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ERBP4HRH1L3MBTL1
SCHEMBL19384151 0.78 HRH1 (0.46) ALDH1A1KDM4ELMNAHRH1

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-2022148879-A1 QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF ACKR3 STICHTING VU (NL) 2022-07-14 WO disclosed