SCHEMBL6015745

SCHEMBL6015745

Cc1[c]cn(CC(=O)NCCN(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
DNM1 Q05193 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LGALS1 P09382 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2D6 P10635 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL6016084 0.78 HDAC4 (0.34)
SCHEMBL6015618 0.77 KMT2A (0.45) KDM4EMAPK1ALDH1A1NPSR1HTT
SCHEMBL1557765 0.75 KDM4E (0.41) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL6016081 0.75 TSHR (0.52) KDM4EMAPK1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3514147 0.74 NPSR1 (0.40) NPSR1SMN1; SMN2
SCHEMBL6015849 0.72 KDM4E (0.49) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL2103703 0.69 KDM4E (0.49) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL1557707 0.68 DNM1 (0.43) KDM4EALDH1A1DNM1POLBMAPT
SCHEMBL2068285 0.65 KMT2A (0.43) ALDH1A1HTTSMN1; SMN2POLBMAPT
SCHEMBL13584322 0.63 DNM1 (0.57) USP2MAPK1ALDH1A1NPSR1DNM1

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-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed