SCHEMBL4576154

SCHEMBL4576154

Cc1nc([N+](=O)[O-])c(CBr)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MDM2 Q00987 1/20 0.37
MAPT P10636 9/20 0.34
KDM4E B2RXH2 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
GFER P55789 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL4575373 0.81 MAPT (0.37) ALDH1A1SMN1; SMN2MDM2MAPTKDM4E
SCHEMBL16324473 0.78 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2MDM2MAPTPOLB
SCHEMBL3676705 0.74 MAPT (0.38) ALDH1A1SMN1; SMN2MAPTPOLBHTT
SCHEMBL6036197 0.73 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL10420573 0.73 MAPT (0.35) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL64089 0.73 MAPT (0.35) ALDH1A1SMN1; SMN2MDM2MAPTKDM4E
SCHEMBL8953652 0.71 MAPT (0.45) ALDH1A1SMN1; SMN2MDM2MAPTKDM4E
SCHEMBL5289525 0.71 PTPRA (0.37) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4000254 0.70 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL8632041 0.70 ALDH1A1 (0.32) ALDH1A1GAA

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-2008039087-A2 INDOLINE DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-03 WO disclosed