SCHEMBL10696897

SCHEMBL10696897

CN1C(=O)C(C)(C)c2cc(NC(=O)Cc3ccccc3)c([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
BRPF1 P55201 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
CCR6 P51684 1/20 0.41
CDK2 P24941 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40

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
SCHEMBL2490128 0.90 MAPT (0.61) L3MBTL1PKMLMNAMAPTALDH1A1
SCHEMBL5563212 0.85 RECQL (0.42) L3MBTL1LMNAMAPTKMT2AKDM4E
SCHEMBL10695330 0.81 MPI (0.39) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL10707347 0.77 KMT2A (0.40) L3MBTL1PKMLMNAMAPTSMN1; SMN2
SCHEMBL2490357 0.77 MAPT (0.56) L3MBTL1PKMLMNAMAPTALDH1A1
SCHEMBL10698508 0.77 MAPT (0.53) L3MBTL1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2486706 0.76 LMNA (0.42) L3MBTL1PKMLMNAMAPTALDH1A1
SCHEMBL10693972 0.76 NPC1 (0.41) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL10694162 0.76 KMT2A (0.38) L3MBTL1PKMLMNAMAPTSMN1; SMN2
SCHEMBL2492692 0.76 MPI (0.48) PKMLMNAMAPTALDH1A1KMT2A

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