SCHEMBL3986801

SCHEMBL3986801

COC(=O)c1c(B(O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ABCC4 O15439 1/20 0.47
PLIN1 O60240 1/20 0.47
CACNA1F O60840 1/20 0.47
GMNN O75496 1/20 0.47
KCNK2 O95069 1/20 0.47
ABCB11 O95342 1/20 0.47
GSR P00390 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL11398188 0.87 TDP1 (0.56) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL15971486 0.83 TDP1 (0.59) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL3389366 0.82 TDP1 (0.65) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL15971290 0.81 CA12 (0.67) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL50994 0.81 TSHR (0.54) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL283363 0.81 TDP1 (0.68) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL2479195 0.80 ERN1 (0.55) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL13983247 0.79 MAPT (0.49) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL1612194 0.79 MAPT (0.59) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL4099183 0.79 TDP1 (0.49) TDP1L3MBTL1ALDH1A1MAPTMAPK1

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
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed