SCHEMBL6278089

SCHEMBL6278089

CC1C[C@H](Nc2ccccc2)c2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
GFER P55789 3/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 4/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CREBBP Q92793 2/20 0.36
EP300 Q09472 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL4127615 1.00 LMNA (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL29640598 1.00 LMNA (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL4123718 1.00 LMNA (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL4123720 1.00 LMNA (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL6975204 1.00 LMNA (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL4197722 1.00 LMNA (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL6584622 0.86 GAA (0.44) MAPTTSHRBRD4BRD2BRD3
SCHEMBL10270645 0.86 MAPT (0.39) NPSR1MAPTHTTSMN1; SMN2MEN1
SCHEMBL10270762 0.86 MAPT (0.39) LMNANPSR1MAPTHTTGFER
SCHEMBL225369 0.83 BRD4 (0.43) LMNANPSR1MAPTHTTGFER

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-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed