SCHEMBL10959778

SCHEMBL10959778

N#CCc1cccc([N+](=O)[O-])c1F

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 2/20 0.40
S100A4 P26447 2/20 0.40
ALDH3A1 P30838 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2080664 0.88 ALDH1A1 (0.57) ALDH1A1HPGDTSHRTDP1SMN1; SMN2
SCHEMBL181041 0.82 ALDH1A1 (1.00) ALDH1A1HPGDTSHRTDP1ALDH3A1
SCHEMBL27755136 0.82 ALDH1A1 (0.54) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL2561184 0.82 ALDH1A1 (0.54) ALDH1A1HPGDTSHRTDP1SMN1; SMN2
SCHEMBL7291481 0.81 ALDH1A1 (0.72) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL3842149 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL10867768 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL6130889 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL7734149 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35
SCHEMBL11812976 0.80 ALDH1A1 (0.70) ALDH1A1HPGDTSHRTDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503000-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US disclosed
US-4502999-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US disclosed