SCHEMBL9749684

SCHEMBL9749684

CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34.Cc1ccc(Nc2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SNCA P37840 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR4 P51679 1/20 0.36
CDC25B P30305 1/20 0.36
UBE2I P63279 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
CYP1A1 P04798 1/20 0.35

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
Pyrene SCHEMBL9838351 0.84 HPGD (0.60) HPGDTSHRMEN1KMT2ASNCA
Pyrene SCHEMBL28242628 0.82 ALDH1A1 (0.52) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL243712 0.82 ALDH1A1 (0.52) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL28242629 0.82 ALDH1A1 (0.52) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL28693220 0.79 GABRA1 (0.34) HPGDTSHRMEN1KMT2AGAA
SCHEMBL12278117 0.74 TSHR (0.71) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL15295067 0.74 ALDH1A1 (0.47) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL6354584 0.74 GABRA1 (0.43) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL17790122 0.73 TSHR (0.38) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL16271401 0.72 ALDH1A1 (0.44) HPGDTSHRMEN1KMT2AL3MBTL1

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
JP-4182441-A None JP disclosed
JP-H04182441-A 7-TERT-BUTYL-1-IODOPYRENE AND 7-TERT-BUTYL-1-N,N-DIPHENYLAMINOPYRENE DERIVATIVE AND THEIR PRODUCTION RICOH CO LTD 1992-06-30 JP disclosed