SCHEMBL10695728

SCHEMBL10695728

CCCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(Cc1cccs1)N3

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SCN9A Q15858 5/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL10701189 0.91 HSD17B10 (0.41) MAPTHSD17B10KMT2AALDH1A1HPGD
SCHEMBL10693769 0.82 MAPT (0.39) MAPTHSD17B10KMT2AALDH1A1HPGD
SCHEMBL10695367 0.80 KDM4E (0.42) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL10697005 0.77 ALDH1A1 (0.41) MAPTHSD17B10KMT2AALDH1A1HPGD
SCHEMBL10696397 0.75 ALDH1A1 (0.40) MAPTHSD17B10KMT2AALDH1A1HPGD
SCHEMBL10567136 0.74 HSD17B10 (0.45) MAPTHSD17B10HDAC2HDAC8HDAC6
SCHEMBL10695723 0.74 LMNA (0.44) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL10695201 0.73 SCN9A (0.35) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL10693698 0.72 KDM4E (0.40) HSD17B10ALDH1A1KDM4ESCN9A
SCHEMBL10696477 0.72 KDM4E (0.42) MAPTHSD17B10KMT2AALDH1A1HPGD

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