SCHEMBL29398685

SCHEMBL29398685

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TSHR P16473 3/20 0.44
HSD17B10 Q99714 1/20 0.41
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GPR35 Q9HC97 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 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
SCHEMBL3678053 1.00 MAPT (0.45) MAPTTSHRHSD17B10LPLLIPG
SCHEMBL4550135 0.88 ALDH1A1 (0.47) MAPTTSHRHSD17B10LPLLIPG
SCHEMBL28453522 0.86 TSHR (0.49) MAPTTSHRLPLLIPGHPGD
SCHEMBL30955191 0.83 VCAM1 (0.47) MAPTHSD17B10LPLLIPGHPGD
SCHEMBL1065935 0.83 TDP1 (0.49) MAPTTSHRLPLLIPGCYP3A4
SCHEMBL23926487 0.83 VCAM1 (0.47) MAPTHSD17B10LPLLIPGHPGD
SCHEMBL28452550 0.83 CA1 (0.40) TSHRLPLLIPGCYP3A4ALDH1A1
SCHEMBL28452806 0.83 LPL (0.39) TSHRLPLLIPGCYP3A4MEN1
SCHEMBL1284877 0.83 GPR35 (0.51) MAPTTSHRHSD17B10LPLLIPG
SCHEMBL59736 0.83 ATM (0.49) MAPTTSHRLPLLIPGCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983081-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2022-04-20 EP disclosed
CN-114258318-A Aminopyrimidine amide autophagy inhibitors and methods of use thereof 德西费拉制药有限责任公司 2022-03-29 CN disclosed
EP-3966207-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2022-03-16 EP disclosed
CN-114127057-A Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof 德西费拉制药有限责任公司 2022-03-01 CN disclosed