SCHEMBL13344110

SCHEMBL13344110

CCc1cccc(C)c1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
ALDH1A1 P00352 3/20 0.69
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.47
KAT2B Q92831 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
BMP1 P13497 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40

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
SCHEMBL10944668 0.87 TDP1 (0.54) TDP1ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL16958303 0.87 ALDH1A1 (0.62) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL18138442 0.86 TDP1 (0.67) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL67211 0.85 TDP1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL66829 0.85 ALDH1A1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL31729335 0.85 TDP1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL66337 0.85 TDP1 (0.64) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL27515202 0.84 ALDH1A1 (0.58) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL6653894 0.83 ALDH1A1 (0.56) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B
SCHEMBL635089 0.83 ALDH1A1 (1.00) TDP1ALDH1A1TSHRSMN1; SMN2KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117255715-A Catalytic material suitable for hydrogenation reactions comprising Ni, one or more additional metals M and a specific oxidation support material 巴斯夫欧洲公司 2023-12-19 CN disclosed
US-9832880-B2 Electronic apparatus and method for manufacturing the same Innolux Corporation (TW) 2017-11-28 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20140362545-A1 ELECTRONIC APPARATUS AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2014-12-11 US disclosed
US-20140362545-A1 ELECTRONIC APPARATUS AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2014-12-11 US disclosed
US-20100112619-A1 LIGAND-CONTAINING MICELLES AND USES THEREOF GRAHAM RONALD J 2010-05-06 US disclosed