SCHEMBL8431228

SCHEMBL8431228

Cc1cc(CNC(=O)OC(C)(C)C)[nH]c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ KDM4A O75164 1/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSS P25774 6/20 0.36
▸ CTSK P43235 5/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL15873920 0.75 KDM4A (0.41) CACNA1HCACNA1BCACNA1CKDM4ANSD2
SCHEMBL16808752 0.74 MTNR1A (0.47) CACNA1HCACNA1BCACNA1CKDM4ANSD2
SCHEMBL20843663 0.72 SETDB1 (0.42) KDM4ANSD2CTSSCTSK
SCHEMBL31130004 0.72 SETDB1 (0.42) KDM4ANSD2CTSSCTSK
SCHEMBL25155252 0.71 SMN1; SMN2 (0.44) CACNA1HCACNA1BCACNA1CKDM4AKDM4E
SCHEMBL30469092 0.70 KDM4A (0.54) CACNA1HCACNA1BCACNA1CKDM4ABCHE
SCHEMBL25677972 0.70 KDM4A (0.54) CACNA1HCACNA1BCACNA1CKDM4ABCHE
SCHEMBL4145619 0.70 KDM4A (0.47) KDM4ANSD2KDM4ELMNAL3MBTL1
SCHEMBL25155486 0.70 SMN1; SMN2 (0.46) CACNA1HCACNA1BCACNA1CKDM4AKDM4E
SCHEMBL15444663 0.69 SMN1; SMN2 (0.42) CACNA1HCACNA1BCACNA1CKDM4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956294-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 — — EP disclosed
WO-1998006741-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-02-19 — — WO disclosed
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