SCHEMBL4699060

SCHEMBL4699060

CCOC(=O)Oc1cnc(SC)nc1Nc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
PKM P14618 3/20 0.43
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 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
SCHEMBL16695029 0.94 RAB9A (0.46) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4698990 0.90 KCNMA1 (0.44) MAPTLMNAKCNMA1SMN1; SMN2KMT2A
SCHEMBL16694958 0.89 MAPT (0.41) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4702543 0.89 MAPK1 (0.44) MAPTLMNAKCNMA1SMN1; SMN2KMT2A
SCHEMBL4705056 0.86 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL1773244 0.86 MAPT (0.57) MAPTLMNAKCNMA1SMN1; SMN2KMT2A
SCHEMBL4698966 0.85 KMT2A (0.46) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4703680 0.85 MAPT (0.45) MAPTLMNAKCNMA1SMN1; SMN2KMT2A
SCHEMBL14000435 0.80 KCNMA1 (0.48) MAPTLMNAKCNMA1SMN1; SMN2KMT2A
SCHEMBL16694831 0.80 MAPT (0.52) MAPTLMNASMN1; SMN2KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966212-B1 DIAZEPINONES MERCK PATENT GMBH (DE) 2015-05-13 EP disclosed
EP-1966212-A1 DIAZEPINONES Merck Patent GmbH (DE) 2008-09-10 EP disclosed
WO-2007079826-A1 DIAZEPINONES MERCK PATENT GMBH (DE) 2007-07-19 WO disclosed