SCHEMBL8478656

SCHEMBL8478656

CCOC(=O)COc1ccc(N2CCNC(Cc3ccc(OC)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 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
SCHEMBL7367343 1.00 KMT2A (0.41) KMT2AMEN1NPSR1RAB9AGAA
SCHEMBL7367504 0.77 RAB9A (0.37) KMT2AMEN1NPSR1RAB9AGAA
SCHEMBL28470764 0.76 SLC6A2 (0.55) RAB9AALDH1A1ATMMAPTPOLB
SCHEMBL28472285 0.76 SLC6A2 (0.55) RAB9AALDH1A1ATMMAPTPOLB
Hydrochloric Acid SCHEMBL8476497 0.76 RAB9A (0.38) KMT2AMEN1NPSR1RAB9AGAA
Hydrochloric Acid SCHEMBL8476494 0.76 RAB9A (0.38) KMT2AMEN1NPSR1RAB9AGAA
SCHEMBL435444 0.72 GAA (0.68) KMT2AMEN1NPSR1GAAALDH1A1
Hydrochloric Acid SCHEMBL8474295 0.72 NPSR1 (0.47) KMT2AMEN1NPSR1RAB9AGAA
Hydrochloric Acid SCHEMBL7359799 0.72 RAB9A (0.39) KMT2AMEN1NPSR1RAB9AGAA
Hydrochloric Acid SCHEMBL28463468 0.69 SIGMAR1 (0.46) KMT2AMEN1GAAALDH1A1

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
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed