SCHEMBL11580943

SCHEMBL11580943

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TBXA2R P21731 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11053827 0.87 MAPK1 (0.54) MAPK1MEN1KMT2APOLBLMNA
SCHEMBL11581851 0.86 KCNMA1 (0.51) MAPK1MEN1KMT2AMAPTLMNA
SCHEMBL11581484 0.86 PDK1 (0.39) MAPK1MEN1KMT2AMAPTLMNA
SCHEMBL11580574 0.85 TBXA2R (0.39) MAPK1MEN1KMT2APOLBMAPT
SCHEMBL11580629 0.85 MAPK1 (0.39) MAPK1MEN1KMT2APOLBLMNA
SCHEMBL11579368 0.83 MAPT (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11581050 0.83 ALDH1A1 (0.43) MAPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL11052870 0.82 PDK1 (0.51) MAPK1MEN1KMT2APOLBLMNA
SCHEMBL11581713 0.82 MEN1 (0.45) MAPK1MEN1KMT2APOLBMAPT
SCHEMBL11049616 0.82 HTT (0.50) MAPK1MEN1KMT2APOLBMAPT

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