SCHEMBL10696534

SCHEMBL10696534

CCCCCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(SC)cc3)c([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
HCAR3 P49019 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL10710954 0.94 MAPT (0.39) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10711757 0.90 MAPT (0.40) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10699942 0.88 MAPT (0.51) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10698960 0.88 MAPT (0.41) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10696183 0.85 MAPT (0.51) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10697943 0.85 MAPT (0.41) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10696545 0.84 LMNA (0.38) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10701527 0.83 MAPT (0.49) MAPTKMT2AMAPK1MEN1NPC1
SCHEMBL2485998 0.83 MAPT (0.46) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10700893 0.83 SETD7 (0.41) MAPTKMT2ALMNAMAPK1MEN1

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