SCHEMBL8938823

SCHEMBL8938823

COc1ccccc1Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.61
MAPT P10636 7/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RECQL P46063 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
AKR1B10 O60218 1/20 0.52
AKR1B1 P15121 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL4943394 0.88 MAPT (0.60) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30819288 0.85 L3MBTL1 (0.68) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4940856 0.85 L3MBTL1 (0.68) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14247580 0.85 MAPK1 (0.60) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27539926 0.85 MAPK1 (0.64) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11901762 0.82 TDP1 (0.54) MAPK1MAPTALDH1A1L3MBTL1TDP1
SCHEMBL2506788 0.81 KMT2A (0.45) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9116525 0.81 MAPT (0.62) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11901725 0.78 MEN1 (0.62) MAPTMEN1KMT2AAKR1B10AKR1B1
SCHEMBL8955420 0.78 MAPT (0.58) MAPK1MAPTALDH1A1SMN1; SMN2L3MBTL1

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
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed