SCHEMBL8614516

SCHEMBL8614516

O=c1[nH]c(=O)n(CCCCSc2ccncc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
TP53 P04637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PKM P14618 1/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ACHE P22303 1/20 0.42
PARP1 P09874 3/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL8614885 0.96 MAPK1 (0.47) MAPK1HTTLMNAMAPTTSHR
Hydrochloric Acid SCHEMBL8619108 0.95 MAPK1 (0.46) MAPK1HTTLMNAMAPTTSHR
SCHEMBL8615574 0.82 MAPK1 (0.48) MAPK1HTTLMNAMAPTTSHR
SCHEMBL8794286 0.81 ALDH1A1 (0.57) MAPK1MAPTTSHRHPGDSMN1; SMN2
SCHEMBL8793989 0.81 MAOA (0.44) HTTLMNAALDH1A1MAOAMAOB
SCHEMBL8616724 0.78 MAOA (0.41) HTTLMNATSHRHPGDSMN1; SMN2
SCHEMBL8616063 0.77 MAPT (0.51) LMNAMAPTHPGDALDH1A1TP53
SCHEMBL8793473 0.77 ALDH1A1 (0.59) MAPK1HTTLMNAMAPTTSHR
Hydrochloric Acid SCHEMBL8619500 0.77 MAOA (0.40) HTTLMNATSHRHPGDSMN1; SMN2
SCHEMBL8793396 0.77 BACE1 (0.47) MAPTMAOAMAOBACHEBACE1

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
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US claimed
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed