SCHEMBL7782168

SCHEMBL7782168

NC(=O)C[C@H](N)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ATM Q13315 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC1A3 P43003 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.40
CYP2C19 P33261 1/20 0.39
ALPI P09923 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PARP10 Q53GL7 3/20 0.39
ACR P10323 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
SCHEMBL7782165 1.00 L3MBTL1 (0.44) L3MBTL1ATMSMN1; SMN2PKMCYP1A2
Sulfuric Acid SCHEMBL11049283 0.94 L3MBTL1 (0.40) L3MBTL1ATMSMN1; SMN2PKMCYP1A2
SCHEMBL7782886 0.87 ATM (0.45) L3MBTL1ATMSMN1; SMN2PKMSLC1A3
SCHEMBL7782885 0.87 ATM (0.45) L3MBTL1ATMSMN1; SMN2PKMSLC1A3
SCHEMBL7709512 0.86 ATM (0.44) L3MBTL1ATMPKMSLC1A3ALDH1A1
SCHEMBL1459632 0.83 KMT2A (0.48) L3MBTL1ATMSMN1; SMN2PKMCYP1A2
SCHEMBL7780251 0.83 KMT2A (0.48) L3MBTL1ATMSMN1; SMN2PKMCYP1A2
SCHEMBL24530374 0.81 ATM (0.46) L3MBTL1ATMPKMSLC1A3ELANE
SCHEMBL2564139 0.81 ATM (0.46) L3MBTL1ATMSMN1; SMN2PKMCYP1A2
SCHEMBL16086931 0.81 ATM (0.46) L3MBTL1ATMSMN1; SMN2PKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368084-A Biaryl kinase inhibitors 百时美施贵宝公司 2018-08-03 CN disclosed
CN-108290843-A Biaryl based kinase inhibitors 百时美施贵宝公司 2018-07-17 CN disclosed
CN-1667113-A Process for making tuber of elevated gastrodia wine LIU JIANHUA (CN) 2005-09-14 CN disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed