SCHEMBL28110480

SCHEMBL28110480

Cc1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.60
CTSL P07711 1/20 0.60
PARP1 P09874 1/20 0.57
MAPT P10636 3/20 0.53
FASN P49327 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
HPGD P15428 1/20 0.51
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50

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
Biphenyl SCHEMBL28097866 0.92 CTSV (0.70) CTSVCTSLPARP1MAPTFASN
SCHEMBL151534 0.86 CTSV (0.79) CTSVCTSLPARP1MAPTFASN
SCHEMBL30272743 0.86 CTSV (0.79) CTSVCTSLPARP1MAPTFASN
SCHEMBL30272742 0.86 CTSV (0.79) CTSVCTSLPARP1MAPTFASN
SCHEMBL30272741 0.86 CTSV (0.79) CTSVCTSLPARP1MAPTFASN
SCHEMBL12722533 0.81 MAPT (0.59) CTSVCTSLPARP1MAPTMEN1
SCHEMBL2422728 0.80 ALDH1A1 (0.62) CTSVCTSLPARP1MAPTFASN
SCHEMBL14077395 0.78 KIF11 (0.61) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL29540314 0.78 GABRA1 (0.70) CTSVCTSLPARP1MAPTMEN1
SCHEMBL155013 0.78 GABRA1 (0.70) CTSVCTSLPARP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117116-A A kind of noval chemical compound 9 (4 ' methyl biphenyl) 3 nitrocarbazoles and synthetic method thereof 别福升 2016-11-16 CN claimed
CN-106117116-B A kind of noval chemical compound 9- (4 '-methyl biphenyl) -3- nitrocarbazoles and its synthetic method 枣庄学院 2018-08-31 CN disclosed
CN-106117116-A A kind of noval chemical compound 9 (4 ' methyl biphenyl) 3 nitrocarbazoles and synthetic method thereof 别福升 2016-11-16 CN disclosed