SCHEMBL6233564

SCHEMBL6233564

O=Cc1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
VCAM1 P19320 1/20 0.49
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.46
MAPT P10636 8/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
DHODH Q02127 2/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6234719 0.84 DHODH (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6685562 0.80 ALDH1A1 (0.57) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1647131 0.77 AR (0.44) LMNAALDH1A1RAB9AMAPTMAPK1
SCHEMBL18600867 0.77 AR (0.44) LMNAALDH1A1CYP2C9CYP2C19RAB9A
SCHEMBL1508495 0.76 VCAM1 (0.57) LMNAVCAM1ALDH1A1CYP1A2CYP2D6
SCHEMBL4319388 0.76 ALDH1A1 (0.54) LMNAVCAM1ALDH1A1CYP1A2CYP2D6
SCHEMBL4643645 0.75 CTSV (0.57) LMNAVCAM1ALDH1A1CYP1A2CYP2D6
SCHEMBL2362378 0.75 MAOA (0.58) LMNAALDH1A1CYP2C9CYP2C19RAB9A
SCHEMBL11699501 0.75 LMNA (0.71) LMNAVCAM1ALDH1A1CYP1A2CYP2D6
SCHEMBL4909005 0.75 SMN1; SMN2 (0.57) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed