SCHEMBL29048448

SCHEMBL29048448

COc1ccc(-c2cccc(F)c2F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
EIF4E P06730 1/20 0.45
MAPK1 P28482 2/20 0.45
AMY1A P0DUB6 1/20 0.43
NPC1 O15118 3/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
GAA P10253 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL10340370 0.83 ALDH1A1 (0.61) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL2495365 0.81 ATM (0.51) ALDH1A1MAPTEIF4EMAPK1SMN1; SMN2
SCHEMBL31557632 0.80 EIF4E (0.57) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL13011320 0.79 VCAM1 (0.51) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL18436302 0.79 CD274 (0.48) RAB9AKMT2AALDH1A1MAPTKDM4E
SCHEMBL14134182 0.78 ALDH1A1 (0.46) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL2503365 0.78 RAB9A (0.47) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL31557643 0.78 CYP24A1 (0.49) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL11188342 0.77 L3MBTL1 (0.53) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL21708368 0.77 RAB9A (0.53) RAB9AMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805674-B Polymeric phosphine ligands, transition metal complexes comprising same, preparation and use thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed