SCHEMBL7007314

SCHEMBL7007314

CCOC(=O)C(F)C(=O)c1cc(F)c(F)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL10510642 0.85 CES2 (0.46) KMT2AMAPTALDH1A1NPC1LMNA
SCHEMBL7010915 0.85 PDK1 (0.47) KMT2AMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL7005289 0.82 KMT2A (0.38) KMT2AMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL3190052 0.81 CES2 (0.39) KMT2AMAPTALDH1A1NPC1MEN1
SCHEMBL6184304 0.80 HSD17B2 (0.40) KMT2AMAPTALDH1A1RAB9ALMNA
SCHEMBL9046842 0.79 CES2 (0.37) KMT2AMAPTSMN1; SMN2PKMLMNA
SCHEMBL3189052 0.77 SMN1; SMN2 (0.39) KMT2AMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL10516761 0.76 CA12 (0.34) KMT2AMAPTALDH1A1NPC1MEN1
SCHEMBL8735860 0.76 MEN1 (0.38) KMT2AMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7010049 0.76 PDK1 (0.43) KMT2AMAPTALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed