SCHEMBL11089327

SCHEMBL11089327

CS[CH]C(=O)N1CC=C(c2ccccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PDK4 Q16654 1/20 0.40
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 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
SCHEMBL11092802 0.83 MAPT (0.45) MAPTPPARGPPARAPDK4KCNH2
SCHEMBL11087646 0.81 CNR1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL23064245 0.80 ALDH1A1 (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11083906 0.75 QDPR (0.45) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2882861 0.75 PDK4 (0.68) PDK4CNR1
SCHEMBL30135250 0.75 PDK4 (0.68) PDK4CNR1
SCHEMBL23277150 0.69 KDM4E (0.49) MAPTLMNAHTTPPARGPPARA
SCHEMBL23102107 0.67 KDM4E (0.58) MAPTLMNAHTTPPARGPPARA
SCHEMBL23701853 0.67 SCD (0.43) MAPTLMNASCDSCD5CNR1
SCHEMBL22324761 0.66 ALDH1A1 (0.47) MAPTLMNAALDH1A1MEN1KMT2A

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-0105397-A1 Sulphuric indole derivatives MERCK PATENT GmbH (DE) 1984-04-18 EP disclosed