SCHEMBL6660574

SCHEMBL6660574

CC(C)(C)c1ccc(N(c2ccccc2)c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
TACR1 P25103 1/20 0.33
PTAFR P25105 2/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GRIN2C Q14957 1/20 0.32
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL27608014 0.88 TACR1 (0.39) NPSR1RAB9AMEN1KMT2APTGES
SCHEMBL5419249 0.86 ALDH1A1 (0.41) MEN1KMT2ACYP2D6L3MBTL1ALDH1A1
SCHEMBL3824743 0.86 ALDH1A1 (0.35) MEN1KMT2ACYP2D6L3MBTL1ALDH1A1
SCHEMBL16386582 0.83 PTGES (0.41) NPSR1RAB9AMEN1KMT2APTGES
SCHEMBL1900260 0.83 HTR7 (0.38) CYP2D6L3MBTL1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL29127434 0.83 KDM1A (0.39) NPSR1RAB9AMEN1KMT2ACYP2D6
SCHEMBL19862779 0.83 PTGES (0.41) NPSR1RAB9AMEN1KMT2APTGES
SCHEMBL28588395 0.83 PTAFR (0.39) NPSR1RAB9AMEN1KMT2APTGES
SCHEMBL6660571 0.82 RAB9A (0.41) NPSR1RAB9AMEN1KMT2APTGES
SCHEMBL30021779 0.82 ALDH1A1 (0.35) MEN1KMT2ACYP2D6L3MBTL1ALDH1A1

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-1442007-A1 METHOD FOR THE PRODUCTION OF ARYLAMINES Covion Organic Semiconductors GmbH (DE) 2004-08-04 EP disclosed
WO-2003037844-A1 METHOD FOR THE PRODUCTION OF ARYLAMINES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-05-08 WO disclosed