SCHEMBL10698788

SCHEMBL10698788

CN1C(=O)C(C)(C)c2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
BRPF1 P55201 1/20 0.42
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 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
SCHEMBL10699997 0.88 MAPT (0.51) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10693972 0.88 NPC1 (0.41) MAPTNPC1MEN1KMT2APOLB
SCHEMBL10708879 0.88 MAPT (0.52) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10709164 0.88 MAPT (0.52) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10699998 0.87 MAPT (0.49) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10708976 0.87 MAPT (0.54) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10532755 0.86 MAPT (0.52) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10701527 0.86 MAPT (0.49) MAPTNPC1MEN1KMT2AABCB1
SCHEMBL10698400 0.83 MAPT (0.47) MAPTNPC1MEN1KMT2APOLB
SCHEMBL10530615 0.83 MAPT (0.52) MAPTNPC1ABCB1ABCC1SMN1; SMN2

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed