SCHEMBL11580574

SCHEMBL11580574

CC(C)(C)NC(=O)NC(=N)Nc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
KCNMA1 Q12791 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11054793 0.87 NPC1 (0.44) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11581484 0.86 PDK1 (0.39) TBXA2RALDH1A1MAPTKCNMA1MEN1
SCHEMBL11581851 0.86 KCNMA1 (0.51) TBXA2RALDH1A1MAPTKCNMA1MEN1
SCHEMBL11580943 0.85 MAPK1 (0.45) TBXA2RALDH1A1MAPTPOLBMEN1
SCHEMBL11580629 0.85 MAPK1 (0.39) TBXA2RALDH1A1POLBKCNMA1MEN1
SCHEMBL11581050 0.83 ALDH1A1 (0.43) TBXA2RALDH1A1KCNMA1MEN1KMT2A
SCHEMBL11579368 0.83 MAPT (0.45) TBXA2RALDH1A1MAPTMEN1KMT2A
SCHEMBL11577888 0.82 MEN1 (0.38) ALDH1A1MAPTPOLBKCNMA1MEN1
SCHEMBL11052138 0.82 KMT2A (0.40) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11578638 0.82 KMT2A (0.40) TBXA2RALDH1A1POLBMEN1KMT2A

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