SCHEMBL17330278

SCHEMBL17330278

O=[N+]([O-])c1c(F)cc(F)cc1F.O=c1oc2ccccc2c(O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.53
MAPT P10636 7/20 0.53
ALDH1A1 P00352 7/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 3/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.48
RECQL P46063 1/20 0.48
GALK1 P51570 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.46

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
SCHEMBL5138522 0.88 LMNA (0.67) LMNAMAPTALDH1A1L3MBTL1HTT
SCHEMBL17347333 0.74 KDM4E (0.57) LMNAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL11848796 0.74 NQO1 (0.56) LMNAMAPTALDH1A1HTTKMT2A
SCHEMBL11852487 0.72 CA9 (0.68) LMNAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL11838520 0.71 CA12 (0.59) LMNAMAPTALDH1A1HTTKMT2A
SCHEMBL11854498 0.71 CA9 (0.67) LMNAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL11388031 0.71 NQO1 (0.58) LMNAMAPTALDH1A1HTTKMT2A
SCHEMBL11854508 0.71 CA9 (0.67) LMNAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL6190126 0.71 NQO1 (0.58) LMNAMAPTHTTGAAPOLB
SCHEMBL5085550 0.71 MAPK1 (0.51) LMNAMAPTALDH1A1HTTRAB9A

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-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US disclosed
US-20150364311-A1 COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY MSTM, LLC 2015-12-17 US disclosed