SCHEMBL12027437

SCHEMBL12027437

CC(=O)c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 1/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
MAPK1 P28482 1/20 0.57
KIF11 P52732 2/20 0.56
ERBB2 P04626 1/20 0.54
PTK6 Q13882 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA2 P47869 1/20 0.54
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
PARP1 P09874 1/20 0.52
NPBWR1 P48145 1/20 0.52

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
SCHEMBL12027433 0.84 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL155013 0.83 GABRA1 (0.70) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL29540314 0.83 GABRA1 (0.70) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL31506909 0.83 KIF11 (0.74) ALDH1A1MEN1KMT2AKIF11ERBB2
SCHEMBL2333579 0.83 KIF11 (0.74) ALDH1A1MEN1KMT2AKIF11ERBB2
SCHEMBL30366673 0.83 KIF11 (0.74) ALDH1A1MEN1KMT2AKIF11ERBB2
SCHEMBL12027620 0.82 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL12027619 0.79 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL28362604 0.78 POLB (0.59) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL15906309 0.78 MAPT (0.64) ALDH1A1POLBMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101941939-B Polyfunctional carbazole derivative oxime ester compound and preparation method and light polymerization initiator thereof SHENZHEN YOUWEI CHEMICAL TECHNOLOGY CO LTD 2013-05-29 CN claimed
CN-101941939-A Polyfunctional carbazole derivative oxime ester compound and preparation method and light polymerization initiator thereof SHENZHEN YOUWEI CHEMICAL TECHNOLOGY CO LTD 2011-01-12 CN claimed
CN-101941939-B Polyfunctional carbazole derivative oxime ester compound and preparation method and light polymerization initiator thereof SHENZHEN YOUWEI CHEMICAL TECHNOLOGY CO LTD 2013-05-29 CN disclosed
EP-2397903-A2 PHOTOACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING THE SAME LG Chem, Ltd. (KR) 2011-12-21 EP disclosed
CN-101941939-A Polyfunctional carbazole derivative oxime ester compound and preparation method and light polymerization initiator thereof SHENZHEN YOUWEI CHEMICAL TECHNOLOGY CO LTD 2011-01-12 CN disclosed