SCHEMBL10110784

SCHEMBL10110784

COC(=O)c1ccc(NC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)C(=O)Nc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46

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
SCHEMBL751079 0.83 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL12890688 0.80 PDK1 (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL8112293 0.79 L3MBTL1 (0.70) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL14155949 0.78 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL15888988 0.78 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL20100803 0.77 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL13719675 0.77 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL26499184 0.77 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL26499202 0.75 PDK1 (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL1542356 0.74 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1CA1

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-8110337-B2 Mixture of binder, an unsaturated compound and acid generator; lithography FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed