SCHEMBL11110156

SCHEMBL11110156

O=C1[N]C(=O)c2c1cccc2N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 3/20 0.50
NSD2 O96028 3/20 0.50
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
EGFR P00533 2/20 0.43
RAF1 P04049 1/20 0.43
ALOX12 P18054 1/20 0.43
MAP2K1 Q02750 1/20 0.43
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 3/20 0.41
S100A4 P26447 2/20 0.41
PRKDC P78527 3/20 0.41

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
SCHEMBL14983914 0.76 MAPT (1.00) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL14983925 0.73 L3MBTL1 (0.82) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL2403872 0.70 POLB (0.51) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL2552173 0.70 MGLL (0.53) TDP1ALDH1A1ATM
SCHEMBL1239433 0.70 MEN1 (0.55) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL15362290 0.69 HTR7 (0.62) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL9424119 0.69 LMNA (0.62) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL14983920 0.69 MAPT (0.77) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL28589473 0.68 MEN1 (0.52) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL30775261 0.68 L3MBTL1 (0.52) KMT2AMEN1MAPTL3MBTL1NPC1

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
EP-0099614-A2 Nitro, amino and aroylamino-N-phenylpyridinamines and their use in a process for preparing pyrido(1,4)benzodiazapines A.H. ROBINS COMPANY, INCORPORATED (US) 1984-02-01 EP claimed