SCHEMBL28388705

SCHEMBL28388705

CC(=O)Nc1ccc(C(=O)CF)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.51
HCAR3 P49019 11/20 0.50
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.48
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL3616520 0.87 KMT2A (0.70) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL571622 0.86 KMT2A (0.64) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL2643864 0.84 KMT2A (0.68) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL29793669 0.84 KMT2A (0.68) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL6506088 0.84 KMT2A (0.62) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL3613079 0.82 HCAR3 (0.72) KMT2ANPSR1MAPTHCAR3
SCHEMBL3620745 0.81 KMT2A (0.65) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL9137225 0.80 KMT2A (0.76) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL28126362 0.80 KMT2A (0.57) KMT2ANPSR1MAPTHTTHCAR3
SCHEMBL9197268 0.79 KMT2A (0.62) KMT2ANPSR1MAPTHTTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072513-B Preparation method of hepatitis drug intermediate 苏州敬业医药化工有限公司 2022-03-08 CN claimed
CN-111072513-A Preparation method of hepatitis drug intermediate 苏州敬业医药化工有限公司 2020-04-28 CN claimed
CN-111072513-B Preparation method of hepatitis drug intermediate 苏州敬业医药化工有限公司 2022-03-08 CN disclosed
CN-111072513-A Preparation method of hepatitis drug intermediate 苏州敬业医药化工有限公司 2020-04-28 CN disclosed