SCHEMBL10697763

SCHEMBL10697763

CCCCCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccsc3C=O)c([N+](=O)[O-])cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HCAR3 P49019 1/20 0.32
KCNMA1 Q12791 1/20 0.32
PKM P14618 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL10711807 0.91 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10708574 0.89 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10699652 0.83 NPC1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10697270 0.82 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10696515 0.81 NPC1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10530439 0.80 PGR (0.36) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10698960 0.80 MAPT (0.41) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10696534 0.78 MAPT (0.42) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10699942 0.78 MAPT (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10696545 0.78 LMNA (0.38) ALDH1A1KMT2AMEN1MAPTNPC1

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