SCHEMBL6016003

SCHEMBL6016003

COCCOc1ccc2[c]c[nH]c2c1CN1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.36
CFB P00751 1/20 0.36
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PDE5A O76074 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6015957 0.81 KDM4E (0.31) KDM4E
SCHEMBL6015789 0.78
SCHEMBL6016076 0.76 SMN1; SMN2 (0.43) TSHRKDM4ESMN1; SMN2TDP1CYP1A2
SCHEMBL6016041 0.76 SMN1; SMN2 (0.43) TSHRKDM4ESMN1; SMN2TDP1CYP1A2
SCHEMBL27620062 0.73
SCHEMBL6015751 0.72
SCHEMBL21338420 0.69 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6015878 0.68 TSHR (0.51) ALDH1A1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL6015938 0.68 TSHR (0.51) ALDH1A1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL6015619 0.65 IDO1 (0.33)

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