SCHEMBL28801682

SCHEMBL28801682

CC(C)(C)OC(=O)C1(CCc2ccccc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.46
KMT2A Q03164 11/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 4/20 0.43
OPRM1 P35372 3/20 0.42
KDM4E B2RXH2 1/20 0.42
OPRD1 P41143 2/20 0.41
P4HB P07237 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1919601 0.83 MEN1 (0.61) MEN1KMT2APOLBRAB9ANPC1
Hydrochloric Acid SCHEMBL1476096 0.82 MEN1 (0.60) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL28049599 0.80 SLC6A2 (0.44) MEN1KMT2APOLBRAB9ANPC1
Toluene SCHEMBL27486527 0.78 OPRM1 (0.44) OPRM1P4HB
SCHEMBL27137776 0.77 SLC6A2 (0.42) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL20493250 0.77 OPRM1 (0.43) MEN1KMT2APOLBRAB9ANPC1
Hydrochloric Acid SCHEMBL27151922 0.76 SLC6A2 (0.41) MEN1KMT2ALMNAOPRM1OPRD1
SCHEMBL2811577 0.76 LMNA (0.48) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL22085965 0.75 L3MBTL1 (0.47) OPRM1P4HBALDH1A1L3MBTL1
SCHEMBL9052620 0.74 OPRM1 (0.42) MEN1KMT2APOLBRAB9ANPC1

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-102791711-A 1, 7-diazacarbazoles and their use in the treatment of cancer HOFFMANN LA ROCHE 2012-11-21 CN disclosed