SCHEMBL8790904

SCHEMBL8790904

COc1cc(C)ccc1N(C(N)=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ACHE P22303 1/20 0.42
PTGER1 P34995 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CREBBP Q92793 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
PLAU P00749 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LPAR1 Q92633 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL6037538 0.88 IDO1 (0.42) MEN1KMT2AACHEL3MBTL1HPGD
SCHEMBL7244019 0.84 TSHR (0.44) MEN1KMT2AACHEL3MBTL1HPGD
SCHEMBL27495785 0.83 PTGER1 (0.41) MEN1KMT2AACHEPTGER1L3MBTL1
SCHEMBL6037511 0.82 TSHR (0.42) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL5155305 0.82 GAA (0.49) KMT2AACHEPTGER1ALDH1A1LMNA
SCHEMBL6037570 0.81 TP53 (0.38) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1954826 0.80 SIGMAR1 (0.44) ACHEHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10424602 0.78 CA1 (0.50) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6037550 0.78 MTNR1A (0.50) PTGER1L3MBTL1ALDH1A1MAPTHTT
SCHEMBL6210311 0.76 L3MBTL1 (0.41) MEN1KMT2APTGER1L3MBTL1HPGD

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-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed