SCHEMBL21397604

SCHEMBL21397604

CCN(CCN)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(CCO)CCN=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
KMT2A Q03164 4/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADRA2A P08913 2/20 0.33
PSMD14 O00487 1/20 0.33

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
SCHEMBL20111147 0.83 SLC2A1 (0.46) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL22415867 0.81 SLC2A1 (0.45) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL2759029 0.78 SLC2A1 (0.50) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL16689642 0.71 SLC2A1 (0.49) MAPTL3MBTL1TSHRTDP1CYP1A2
SCHEMBL5011804 0.71 SLC2A1 (0.55) MAPTL3MBTL1TSHRTDP1CYP1A2
SCHEMBL9699686 0.71 SLC2A1 (0.55) MAPTL3MBTL1TSHRTDP1CYP1A2
SCHEMBL5007896 0.71 SLC2A1 (0.55) MAPTL3MBTL1TSHRTDP1CYP1A2
SCHEMBL3893912 0.71 KMT2A (0.56) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL19903911 0.70 TDP1 (0.41) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL20904073 0.69 APP (0.46) KMT2AMAPTL3MBTL1TSHRTDP1

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-2019182930-A1 LAUNDRY CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2019-09-26 WO disclosed