SCHEMBL6955085

SCHEMBL6955085

[CH2]CN1C(=O)c2ccc(N)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.55
HSD17B10 Q99714 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
CASP7 P55210 3/20 0.50
TSHR P16473 3/20 0.50
RPS6KA2 Q15349 1/20 0.49
ANPEP P15144 2/20 0.47
DPP4 P27487 1/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 2/20 0.46
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL17077235 0.81 HSD17B10 (0.64) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL30070294 0.81 POLB (0.57) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL6207310 0.81 POLB (0.57) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL11045205 0.80 CASP3 (0.56) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL8005568 0.78 CASP1 (0.60) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL3582064 0.78 KDM4E (0.69) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL2901880 0.78 ALDH1A1 (0.55) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL10663245 0.78 CASP1 (0.56) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL10661667 0.78 CASP1 (0.52) CASP1HSD17B10MEN1KMT2AGAA
SCHEMBL6957181 0.77 PARK7 (0.45) HSD17B10NPC1RAB9ARPS6KA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP claimed
CN-1210517-A Hydroxamic acid derivatives for use with treatment of diseases related to connective tissue degradation UPJOHN CO (US) 1999-03-10 CN claimed
EP-0898562-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-03-03 EP claimed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US claimed
WO-1997032846-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1997-09-12 WO claimed
EP-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP disclosed
CN-1210517-A Hydroxamic acid derivatives for use with treatment of diseases related to connective tissue degradation UPJOHN CO (US) 1999-03-10 CN disclosed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US disclosed