SCHEMBL8400927

SCHEMBL8400927

CCN=C(N)N(CC)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
SIGMAR1 Q99720 2/20 0.45
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 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
SCHEMBL23510722 0.84 ALDH1A1 (0.46) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11842169 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11842159 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL23510741 0.80 TP53 (0.47) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL3919033 0.80 MEN1 (0.54) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL29661574 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL10709649 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1GLATSHR
Hydrochloric Acid SCHEMBL11183161 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL1520370 0.75 MEN1 (0.66) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL145553 0.75 ALDH1A1 (0.59) MEN1KMT2AALDH1A1GLATSHR

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-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed