SCHEMBL6429923

SCHEMBL6429923

COCC(N)C(C)c1cc(C)nc(Oc2ccc(OC(F)(F)F)cc2Br)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.33
S1PR4 O95977 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
TXNRD1 Q16881 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL6429928 0.80 CRHR1 (0.43) CRHR1S1PR4MAPTKDM4EMAPK1
SCHEMBL5842960 0.71 CRHR1 (0.38) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL5842886 0.70 CRHR1 (0.42) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL27493434 0.62 ALDH1A1 (0.48) MAPTMAPK1TDP1SMN1; SMN2MEN1
SCHEMBL5158453 0.61 ALDH1A1 (0.46) CRHR1MEN1LMNAHPGDKMT2A
SCHEMBL10262523 0.60 ALDH1A1 (0.49) MAPTMAPK1TDP1SMN1; SMN2MEN1
SCHEMBL19616709 0.60 MAPT (0.43) CRHR1MAPTKDM4ETDP1NPC1
SCHEMBL29493403 0.60 MAPT (0.43) CRHR1MAPTKDM4ETDP1NPC1
SCHEMBL8160442 0.59 GRM7 (0.40) CRHR1ALDH1A1PDE2A
SCHEMBL29696199 0.59 MAPT (0.44) MAPTKDM4EMAPK1SMN1; SMN2MEN1

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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed