SCHEMBL10695367

SCHEMBL10695367

CCCCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1cccs1)N3

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
SCN9A Q15858 9/20 0.36
CNR2 P34972 2/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10697005 0.93 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10695201 0.82 SCN9A (0.35) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10693698 0.82 KDM4E (0.40) KDM4EALDH1A1SCN9ACNR2
SCHEMBL10695728 0.80 MAPT (0.39) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10695491 0.78 MAPT (0.42) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL10696397 0.78 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10697356 0.78 MEN1 (0.40) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10695114 0.78 SCN9A (0.37) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL10695289 0.77 SCN9A (0.34) MEN1MAPTKMT2ASCN9ACNR2
SCHEMBL10696477 0.75 KDM4E (0.42) KDM4EALDH1A1HPGDMEN1MAPT

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