SCHEMBL9593286

SCHEMBL9593286

C=CCC(N)(CN)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
TAAR1 Q96RJ0 1/20 0.42
KCNN4 O15554 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 4/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.33
MAPK1 P28482 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
SCHEMBL2688608 0.90 HTT (0.53) HTTALDH1A1TSHRTAAR1KCNN4
Hydrochloric Acid SCHEMBL11764056 0.88 HTT (0.52) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL830927 0.81 HTT (0.46) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL7131764 0.79 HTT (0.45) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL30434815 0.79 HTT (0.55) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL11587838 0.78 HTT (0.39) HTTALDH1A1TSHRMAPTATM
SCHEMBL8508636 0.78 HTT (0.44) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL1220936 0.78 HTT (0.50) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL10489058 0.78 HTT (0.50) HTTALDH1A1TSHRTAAR1KCNN4
SCHEMBL9788880 0.77 HTT (0.53) HTTALDH1A1TSHRTAAR1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP claimed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP disclosed