SCHEMBL5153593

SCHEMBL5153593

CNC(=O)c1cc(NC(=O)NC(C)C)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
MAPT P10636 7/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MYOC Q99972 1/20 0.51
TBXA2R P21731 2/20 0.50
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 3/20 0.45
PDGFRA P16234 1/20 0.45
KDR P35968 1/20 0.45
LMNA P02545 3/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 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
SCHEMBL5149577 0.87 MEN1 (0.50) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5149668 0.85 BRAF (0.49) MAPTMAPK1NPSR1RAF1CA12
SCHEMBL11833078 0.82 MEN1 (0.76) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5184379 0.77 TBXA2R (0.52) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL4786545 0.74 MEN1 (0.50) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL5184278 0.74 TBXA2R (0.53) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL620645 0.74 KMT2A (0.51) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL4686268 0.74 PKM (0.53) MEN1KMT2AMAPK1PKMPPARG
SCHEMBL4237333 0.74 PKM (0.50) RAB9ANPC1PKMSMN1; SMN2RAF1

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