SCHEMBL9762646

SCHEMBL9762646

COC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
HTT P42858 3/20 0.59
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ALDH1A1 P00352 4/20 0.49
GPR35 Q9HC97 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL5628051 0.90 ALDH1A1 (0.56) KMT2AHTTCA1CA2ALDH1A1
SCHEMBL28328289 0.87 CA1 (0.54) KMT2AHTTCA1CA2ALDH1A1
SCHEMBL11638780 0.85 GPR35 (0.55) KMT2AHTTALDH1A1GPR35SMN1; SMN2
SCHEMBL10799781 0.84 SMN1; SMN2 (0.46) KMT2AHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL27484194 0.81 MEN1 (0.50) KMT2AHTTALDH1A1GPR35SMN1; SMN2
SCHEMBL5628047 0.81 KMT2A (0.56) KMT2AHTTCA1CA2ALDH1A1
SCHEMBL9761593 0.81 NPC1 (0.57) KMT2AHTTCA1CA2ALDH1A1
SCHEMBL30954040 0.80 SMN1; SMN2 (0.46) KMT2AHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL5787676 0.80 NR1H4 (0.52) KMT2AHTTALDH1A1GPR35SMN1; SMN2
SCHEMBL30098373 0.80 GPR35 (0.56) KMT2AHTTCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990699-A Perfluoroalkylation process ETHYL CORPORATION (US) 1991-02-05 US disclosed