SCHEMBL10697270

SCHEMBL10697270

CC(C)N1C(=O)C(C)(C)c2cc(NC(=O)c3ccsc3C=O)c([N+](=O)[O-])cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KCNMA1 Q12791 7/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSPA9 P38646 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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 0.86 ALDH1A1 (0.35) ALDH1A1KCNMA1NPC1RAB9AMAPT
SCHEMBL10708574 0.83 ALDH1A1 (0.37) ALDH1A1KCNMA1NPC1RAB9AMAPT
SCHEMBL10697763 0.82 ALDH1A1 (0.34) ALDH1A1KCNMA1NPC1RAB9AMAPT
SCHEMBL10699685 0.78 NPC1 (0.39) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL10530439 0.77 PGR (0.36) ALDH1A1KCNMA1NPC1RAB9AMAPT
SCHEMBL10709623 0.76 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL2488921 0.76 LMNA (0.51) ALDH1A1NPC1RAB9AMAPTL3MBTL1
SCHEMBL10709164 0.75 MAPT (0.52) ALDH1A1NPC1RAB9AMAPTL3MBTL1
SCHEMBL10532295 0.75 PGR (0.37) ALDH1A1KCNMA1NPC1RAB9AMAPT
SCHEMBL10699188 0.75 SETD7 (0.44) ALDH1A1NPC1RAB9AMAPTKMT2A

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