SCHEMBL10697121

SCHEMBL10697121

CCCCN1C(=O)C(C)(C)c2cc(NC(=O)Cc3cccs3)c([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
POLB P06746 7/20 0.49
BLM P54132 2/20 0.49
CTDSP1 Q9GZU7 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 5/20 0.45
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL10708358 0.91 MEN1 (0.52) MEN1KMT2APOLBBLMCTDSP1
SCHEMBL10696515 0.86 NPC1 (0.50) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10694162 0.85 KMT2A (0.38) MEN1KMT2APOLBMAPTPKM
SCHEMBL10699652 0.84 NPC1 (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10698900 0.81 NPC1 (0.52) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10697943 0.79 MAPT (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL2490357 0.79 MAPT (0.56) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL10696939 0.77 SMN1; SMN2 (0.49) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL10717276 0.77 NPC1 (0.53) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10698960 0.77 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA

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