SCHEMBL11580678

SCHEMBL11580678

N=C(NC(N)=O)Nc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGFR P43088 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KDM1A O60341 2/20 0.35
KIF11 P52732 2/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11578654 0.84 RAB9A (0.40) RAB9ACYP1A2CYP2D6CYP2C19TMPRSS4
SCHEMBL11579869 0.83 MAPT (0.47) RAB9ACYP1A2CYP2D6CYP2C19TMPRSS4
SCHEMBL11581907 0.83 RAB9A (0.58) RAB9ACYP1A2CYP2D6CYP2C19TMPRSS4
SCHEMBL11807550 0.82 OPRM1 (0.35) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL11053893 0.82 RAB9A (0.43) RAB9ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL11578514 0.81 NPC1 (0.43) RAB9ACYP1A2MAPTSMN1; SMN2F2
SCHEMBL4094802 0.80 KDM4E (0.52) RAB9ACYP1A2CYP2C19MAPTSMN1; SMN2
SCHEMBL11580082 0.79 ALDH1A1 (0.51) TMPRSS4MAPTTP53F10PLAU
SCHEMBL11581488 0.78 MAPT (0.38) RAB9AMAPTSMN1; SMN2PTGFRTP53
SCHEMBL11250945 0.78 SIGMAR1 (0.51) RAB9ACYP1A2CYP2D6CYP2C19MAPT

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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed