SCHEMBL9870767

SCHEMBL9870767

COc1cccc2c1c1c(n2C)SCC(CN(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CCR6 P51684 1/20 0.33
METAP1 P53582 5/20 0.33
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
ACHE P22303 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL9872568 0.83 CHRNA7 (0.43) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL9872735 0.83 CYP19A1 (0.41) MAPTHSP90AA1CCR6METAP1HTR6
SCHEMBL9871319 0.82 CHRNA7 (0.44) MEN1POLBMAPTKMT2AMETAP1
SCHEMBL9872040 0.80 CDK5 (0.34) MEN1POLBMAPTALOX15RECQL
SCHEMBL9871149 0.79 CYP3A4 (0.38) MEN1RECQLKMT2AMETAP1HTR6
Hydrochloric Acid SCHEMBL9872164 0.78 METAP1 (0.39) METAP1HTR6ALDH1A1
SCHEMBL9870860 0.78 KCNH2 (0.48) MEN1POLBMAPTALOX15RECQL
SCHEMBL9871416 0.76 METAP1 (0.45) MEN1MAPTKMT2AL3MBTL1HSP90AA1
SCHEMBL9879138 0.76 METAP1 (0.45) HSP90AA1CCR6METAP1HTR6
Hydrochloric Acid SCHEMBL9873069 0.75 METAP1 (0.46) MEN1MAPTKMT2AL3MBTL1HSP90AA1

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
US-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US disclosed