SCHEMBL9504013

SCHEMBL9504013

Cc1ccccc1CNC(CCOCC(C)C)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
RORC P51449 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9502192 0.89 TDP1 (0.43) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL9502833 0.83 SLC6A4 (0.44) KDM4EKMT2AMEN1CYP2D6
SCHEMBL9502149 0.83 TSHR (0.48) KDM4EKMT2AMEN1NPSR1TSHR
SCHEMBL9502751 0.78 KDM4E (0.39) KDM4EKMT2AMEN1NPSR1TSHR
SCHEMBL9501470 0.78 KDM4E (0.38) KDM4EKMT2AMEN1NPSR1TSHR
SCHEMBL9502176 0.68 KDM4E (0.48) KDM4EKMT2AALDH1A1TDP1POLB
SCHEMBL8635727 0.66 CHRM2 (0.54) KDM4EALDH1A1HTT
SCHEMBL9504097 0.66 KDM4E (0.45) KDM4EKMT2ATSHRALDH1A1TDP1
SCHEMBL9502822 0.62 LMNA (0.50) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL8750527 0.60 TACR1 (0.42) KDM4ETSHRALDH1A1HTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed