SCHEMBL28782820

SCHEMBL28782820

COc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3nn(C)cc3-c3ccccc3)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 6/20 0.48
POLB P06746 3/20 0.47
TP53 P04637 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NAMPT P43490 1/20 0.44
MCHR1 Q99705 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL2817833 0.89 MEN1 (0.48) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL27775928 0.81 MAPT (0.53) MEN1KMT2AMAPTPOLBTP53
SCHEMBL28785584 0.79 MEN1 (0.50) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL27797361 0.79 MEN1 (0.50) MEN1KMT2AMAPTPOLBTP53
SCHEMBL28785517 0.78 MEN1 (0.55) MEN1KMT2AMAPTPOLBTP53
SCHEMBL27797876 0.78 MAPT (0.49) MEN1KMT2AMAPTPOLBTP53
SCHEMBL27776356 0.78 MAPT (0.48) MEN1KMT2AMAPTPOLBTP53
SCHEMBL27796778 0.78 AURKB (0.60) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL28782773 0.78 KMT2A (0.48) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL27775767 0.77 MEN1 (0.46) MEN1KMT2AMAPTPOLBTP53

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-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed