SCHEMBL4698990

SCHEMBL4698990

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.44
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
SYK P43405 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 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
SCHEMBL4703680 0.93 MAPT (0.45) KCNMA1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16694958 0.91 MAPT (0.41) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL16695029 0.91 RAB9A (0.46) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4702543 0.91 MAPK1 (0.44) KCNMA1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4699060 0.90 MAPT (0.47) KCNMA1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4705056 0.89 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL1774056 0.85 MAPT (0.60) KCNMA1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4699964 0.85 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4699968 0.83 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL16694831 0.82 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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