SCHEMBL4728524

SCHEMBL4728524

O=C1O[C@@H](CO)CN1c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
F10 P00742 4/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42
CALML3 P27482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4783416 0.84 HSD17B10 (0.53) F10ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL4728850 0.82 PKM (0.56) F10ALDH1A1MAPTMAOAMAOB
SCHEMBL14261619 0.82 PKM (0.56) F10ALDH1A1MAPTMAOAMAOB
SCHEMBL4782698 0.81 F10 (0.46) F10MAOAMAOBCALML3
SCHEMBL14261417 0.80 CALML3 (0.52) F10ALDH1A1MAOAMAOBCALML3
SCHEMBL14261644 0.80 CALML3 (0.52) F10ALDH1A1MAOAMAOBCALML3
SCHEMBL14261606 0.77 F10 (0.47) F10MAOAMAOBCALML3
SCHEMBL4728322 0.75 GAA (0.54) F10ALDH1A1LMNAMAOAMAOB
SCHEMBL14261333 0.74 DDB1 (0.49) F10TSHRKMT2AMAPTMAOA
SCHEMBL10151464 0.74 MAOA (0.45) F10MAOAMAOBCALML3

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
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO claimed
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed