SCHEMBL6015701

SCHEMBL6015701

CC(C)OCCCNCc1ccc2[c]c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 3/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
SCN8A Q9UQD0 4/20 0.33
HTR1A P08908 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6016037 0.86 HDAC6 (0.39) HDAC1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL6016005 0.81 L3MBTL1 (0.44) ALDH1A1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL6015656 0.79 ALDH1A1 (0.39) SMN1; SMN2HDAC1ALDH1A1LMNAKMT2A
SCHEMBL6015645 0.79 TERT (0.44) LMNAKDM4EPOLB
SCHEMBL27620069 0.73 TSHR (0.37) SMN1; SMN2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL6015865 0.71 HPGD (0.38) POLBHTR1AL3MBTL1
SCHEMBL6015654 0.68 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6352792 0.67 KIF11 (0.41) SMN1; SMN2ALDH1A1LMNAKDM4EHTR1A
SCHEMBL12633984 0.66 MMP12 (0.43) SMN1; SMN2HDAC1KMT2APOLBSCN8A
SCHEMBL7135231 0.66 SMN1; SMN2 (0.51) SMN1; SMN2HDAC1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
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