SCHEMBL10698508

SCHEMBL10698508

CN1C(=O)C(C)(C)c2cc(NC(=O)c3cccs3)c([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
MITF O75030 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
JAK2 O60674 1/20 0.41
PAX8 Q06710 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
SCHEMBL10698900 0.88 NPC1 (0.52) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10717276 0.87 NPC1 (0.53) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10696515 0.86 NPC1 (0.50) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10699652 0.85 NPC1 (0.49) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10693972 0.82 NPC1 (0.41) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10698788 0.78 MAPT (0.55) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10695938 0.78 MAPT (0.52) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5563212 0.78 RECQL (0.42) MAPTCYP3A4L3MBTL1KMT2ALMNA
SCHEMBL10534281 0.78 NPC1 (0.51) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10696897 0.77 L3MBTL1 (0.51) MAPTNPC1RAB9AL3MBTL1SMN1; 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