SCHEMBL11554386

SCHEMBL11554386

Cc1cc(-c2cc(C)c(C)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 2/20 0.50
HPGD P15428 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NLRP1 Q9C000 1/20 0.50
HSD17B10 Q99714 1/20 0.48
TSHR P16473 8/20 0.47
CYP3A4 P08684 2/20 0.47
RECQL P46063 1/20 0.47
GPR35 Q9HC97 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL772362 0.87 TSHR (0.58) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL30313522 0.87 TSHR (0.58) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL30932744 0.82 CYP3A4 (0.52) CYP1A2ALDH1A1TDP1MAPTHSD17B10
SCHEMBL866951 0.82 CYP3A4 (0.52) CYP1A2ALDH1A1TDP1MAPTHSD17B10
SCHEMBL799656 0.82 TSHR (0.54) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL29479089 0.82 TSHR (0.54) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL8053279 0.81 TSHR (0.58) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL10955436 0.79 MAPT (0.46) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL22171703 0.78 KMT2A (0.54) CYP1A2ALDH1A1TDP1MAPTPKM
SCHEMBL2352240 0.77 TSHR (0.54) CYP1A2ALDH1A1TDP1MAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591180-A Preparation method of 4,4',5,5' -tetramethyl [1,1 '-biphenyl ] -2,2' -diamine 绍兴贝斯美化工股份有限公司 2022-06-07 CN claimed
CN-114591180-A Preparation method of 4,4',5,5' -tetramethyl [1,1 '-biphenyl ] -2,2' -diamine 绍兴贝斯美化工股份有限公司 2022-06-07 CN disclosed
US-4138392-A Imide nitrogen dibenzofurans polymers STANDARD OIL COMPANY (INDIANA) (US) 1979-02-06 US disclosed
US-4046779-A Dibenzofuran-2,3,6,7-tetracarboxylic acid dianhydride STANDARD OIL COMPANY (INDIANA) (US) 1977-09-06 US disclosed