SCHEMBL5149577

SCHEMBL5149577

CC(C)NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(C(=O)N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
MAPT P10636 5/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 2/20 0.50
MYOC Q99972 1/20 0.50
TBXA2R P21731 2/20 0.49
GAA P10253 4/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
PTGES O14684 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL5149500 0.89 MEN1 (0.53) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5153593 0.87 MEN1 (0.51) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5149550 0.85 PNLIP (0.39) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL11833078 0.81 MEN1 (0.76) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5184379 0.76 TBXA2R (0.52) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5173994 0.74 PKM (0.49) MAPTRAB9ANPC1PKMSMN1; SMN2
SCHEMBL5150215 0.74 PKM (0.52) MEN1KMT2ARAB9AMAPK1NPC1
SCHEMBL11207597 0.74 GAA (0.52) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL4786545 0.73 MEN1 (0.50) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5184278 0.73 TBXA2R (0.53) MEN1KMT2AMAPTRAB9AMAPK1

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed