SCHEMBL9501470

SCHEMBL9501470

Cc1ccccc1CNC(CCOCC(C)C)N1CCN(C(=O)CCO[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9504013 0.78 KDM4E (0.40) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL9502833 0.76 SLC6A4 (0.44) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL9502192 0.74 TDP1 (0.43) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL9502149 0.71 TSHR (0.48) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL9501166 0.69 ALDH1A1 (0.40) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL9501464 0.66 BCHE (0.38) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL10516652 0.62 ALDH1A1 (0.38) KDM4EALDH1A1LMNATDP1NPC1
SCHEMBL18195122 0.60 KMT2A (0.54) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL8635727 0.60 CHRM2 (0.54) KDM4EALDH1A1LMNAHTT
SCHEMBL8957307 0.59 TAAR1 (0.46) KDM4EKMT2AMEN1ALDH1A1TDP1

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-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed