SCHEMBL7700455

SCHEMBL7700455

CC(=NO)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
HTT P42858 2/20 0.47
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP2A6 P11509 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL10298337 0.83 LMNA (0.56) LMNANOS3NOS1HTTCA2
SCHEMBL14298196 0.81 CA9 (0.52) LMNAHTTCA2CA1NPC1
SCHEMBL12360950 0.81 CA9 (0.52) LMNAHTTCA2CA1NPC1
SCHEMBL15058733 0.79 NOS3 (0.66) LMNANOS3NOS1HTTCA2
SCHEMBL15058732 0.79 NOS3 (0.66) LMNANOS3NOS1HTTCA2
SCHEMBL15058734 0.79 NOS3 (0.66) LMNANOS3NOS1HTTCA2
SCHEMBL14378468 0.78 LMNA (0.51) LMNANOS3NOS1HTTCA2
SCHEMBL6816468 0.78 NPC1 (0.54) LMNANOS3NOS1HTTCA2
SCHEMBL6816473 0.78 NPC1 (0.54) LMNANOS3NOS1HTTCA2
SCHEMBL22782643 0.78 LMNA (0.51) LMNANOS3NOS1HTTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 CN claimed
CN-112574135-A 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2021-03-30 CN claimed
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 CN disclosed
CN-112574135-A 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2021-03-30 CN disclosed
US-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 US disclosed