SCHEMBL21311751

SCHEMBL21311751

IC1c2ccccc2C2CCCCC12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
NOS1 P29475 3/20 0.38
PARP1 P09874 1/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL22879310 0.78 LMNA (0.45) PPIAMEN1KMT2ANOS1PARP1
SCHEMBL3290310 0.77 MEN1 (0.56) PPIAMEN1KMT2ANOS1PARP1
SCHEMBL22879514 0.76 ANPEP (0.45) PPIAMEN1KMT2APARP1
SCHEMBL22879359 0.76 PARP1 (0.42) PPIAMEN1KMT2APARP1BCHE
SCHEMBL12813351 0.75 PPIA (0.47) PPIAMEN1KMT2AESR1ESR2
SCHEMBL1504379 0.75 NOS1 (0.42) PPIAMEN1KMT2AESR1ESR2
SCHEMBL8894478 0.75 PPIA (0.40) PPIAMEN1KMT2AESR1ESR2
SCHEMBL7544039 0.75 NOS1 (0.42) PPIAMEN1KMT2AESR1ESR2
SCHEMBL22879372 0.75 CYP2C9 (0.40) PPIAMEN1KMT2AESR1ESR2
SCHEMBL21311754 0.75 PARP1 (0.35) PPIAMEN1KMT2ANOS1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
EP-3760620-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-06 EP disclosed
WO-2019161781-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF 北京泰德制药股份有限公司 2019-08-29 WO disclosed