SCHEMBL6015849

SCHEMBL6015849

Cc1[c]cnn1CC(=O)NCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.37
DNM1 Q05193 1/20 0.37
P2RX7 Q99572 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LGALS1 P09382 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HBB P68871 1/20 0.35
PAICS P22234 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
SCHEMBL2103703 0.75 KDM4E (0.49) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL1557765 0.72 KDM4E (0.41) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL6015745 0.72 KDM4E (0.46) KDM4EUSP2MAPK1ALDH1A1LMNA
Water SCHEMBL9877241 0.67 LMNA (0.51) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL31459289 0.65 ALDH1A1 (0.45) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL1557707 0.65 DNM1 (0.43) KDM4EALDH1A1DNM1MAPT
SCHEMBL13584322 0.63 DNM1 (0.57) USP2MAPK1ALDH1A1NPSR1CYP2D6
SCHEMBL31537579 0.63 ALDH1A1 (0.47) KDM4EUSP2MAPK1ALDH1A1LMNA
SCHEMBL4280071 0.62 ALDH1A1 (0.70) KDM4EUSP2MAPK1ALDH1A1DNM1
SCHEMBL47678 0.62 DNM1 (0.60) USP2MAPK1ALDH1A1NPSR1CYP2D6

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