SCHEMBL27933366

SCHEMBL27933366

Cc1cc(ON)ccc1CN1CCC(C)(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL327553 0.81 PLA2G1B (0.40) ALDH1A1KMT2AMEN1POLBS1PR1
SCHEMBL326617 0.78 MCHR1 (0.47) KMT2AMEN1POLBS1PR1S1PR5
SCHEMBL27933607 0.74 S1PR1 (0.38) ALDH1A1KMT2APOLBS1PR1S1PR5
SCHEMBL23230109 0.66 ALDH1A1 (0.47) ALDH1A1POLBGAAKDM4ELMNA
SCHEMBL1269135 0.65 OPRL1 (0.58) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL17696097 0.64 HTR3E (0.57) KMT2AMEN1LMNA
SCHEMBL18212504 0.62 S1PR1 (0.44) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL21075502 0.62 POLB (0.49) ALDH1A1POLBGAAS1PR1S1PR5
SCHEMBL31202932 0.62 NR1H2 (0.50) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL19311866 0.60 KDM4E (0.42) ALDH1A1KMT2AMEN1POLBGAA

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
CN-103209979-A Therapeutic agent 976 ASTRAZENECA AB 2013-07-17 CN disclosed