SCHEMBL6932504

SCHEMBL6932504

c1ccc(CC(NCCNC(Cc2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
GRM7 Q14831 1/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50

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
SCHEMBL4915574 0.88 L3MBTL1 (0.51) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10782582 0.87 L3MBTL1 (0.50) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9155467 0.87 SIGMAR1 (0.61) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL13995314 0.85 HTR1A (0.58) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL17465576 0.85 L3MBTL1 (0.65) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL11130032 0.84 L3MBTL1 (0.48) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL4355200 0.83 SIGMAR1 (0.60) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL5819528 0.83 SIGMAR1 (0.60) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31086290 0.82 SIGMAR1 (0.58) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL3204506 0.81 CYP1A2 (0.72) L3MBTL1MAPTHTTALDH1A1SMN1; SMN2

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-1364641-A1 Use of at least one metal complex as a desquamative agent L'OREAL (FR) 2003-11-26 EP disclosed