SCHEMBL10696440

SCHEMBL10696440

CCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1ccc(SC)cc1)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 8/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PGR P06401 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP19A1 P11511 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL10697356 0.92 MEN1 (0.40) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL10697456 0.92 MEN1 (0.40) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL10696042 0.84 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10PGRL3MBTL1
SCHEMBL10696318 0.78 KDM4E (0.41) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL10695087 0.78 TNKS2 (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL10698519 0.78 CNR1 (0.41) MEN1KMT2AGAAALDH1A1CASP1
SCHEMBL10698153 0.78 AURKA (0.38) PGRCYP19A1AURKAAURKB
SCHEMBL10696397 0.77 ALDH1A1 (0.40) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL10699769 0.77 ALDH1A1 (0.41) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL10693698 0.76 KDM4E (0.40) ALDH1A1HSD17B10CYP19A1

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