SCHEMBL5203557

SCHEMBL5203557

C#CCn1cc(C2CCN(C(=O)c3cccnc3SC)C2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD11B1 P28845 2/20 0.47
GAA P10253 1/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HRH2 P25021 2/20 0.40
PROKR1 Q8TCW9 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL5203887 0.85 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL5206944 0.73 RAB9A (0.55) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL5202510 0.73 HSD11B1 (0.55) ALDH1A1KMT2AHSD11B1HRH2PROKR1
SCHEMBL4859672 0.73 HSD11B1 (0.52) HSD11B1PROKR1
SCHEMBL5205671 0.73 MAPT (0.47) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL5491834 0.72 MEN1 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL5202100 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AHSD11B1FNTAFNTB
SCHEMBL5203268 0.70 GAA (0.48) ALDH1A1KMT2AKDM4EHSD11B1GAA
SCHEMBL5206637 0.70 LMNA (0.44) KMT2ALMNAMEN1HSD11B1L3MBTL1
SCHEMBL4854486 0.69 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4EHSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed