SCHEMBL28517552

SCHEMBL28517552

CC1(C)CC(C)(c2ccc(N)cc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.39
CYP19A1 P11511 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PDE7A Q13946 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
THRB P10828 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
SCHEMBL28449071 0.94 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL29895266 0.91 SMN1; SMN2 (0.43) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL11691096 0.91 SMN1; SMN2 (0.43) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9263204 0.85 SMN1; SMN2 (0.43) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL29374824 0.82 FSHR (0.42) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL140434 0.82 FSHR (0.42) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL27908100 0.81 FSHR (0.41) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL27224482 0.79 FSHR (0.40) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL10652160 0.78 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL27862690 0.77 FSHR (0.44) ALDH1A1MEN1MAPTKMT2ALMNA

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-112409187-B Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2022-09-02 CN claimed
CN-112409187-A Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2021-02-26 CN claimed
CN-112409187-B Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2022-09-02 CN disclosed
CN-112409187-A Synthesis method of 6-amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2021-02-26 CN disclosed