SCHEMBL6015947

SCHEMBL6015947

CN1CCCN(C(=O)c2ccc3[c]c[nH]c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.48
HPGD P15428 4/20 0.47
TSHR P16473 1/20 0.47
HRH4 Q9H3N8 3/20 0.46
CHKA P35790 1/20 0.46
TLR9 Q9NR96 4/20 0.45
TLR8 Q9NR97 4/20 0.45
TLR7 Q9NYK1 4/20 0.45
GHSR Q92847 1/20 0.45
ALOX15 P16050 1/20 0.43

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
SCHEMBL6015833 0.95 KMT2A (0.52) POLBKMT2AMEN1HPGDTSHR
SCHEMBL6015819 0.81 ALDH1A1 (0.48) POLBKMT2AMEN1HPGDHRH4
SCHEMBL6015913 0.81 SIGMAR1 (0.49) HPGDHRH4TLR9TLR8TLR7
SCHEMBL6015694 0.81 ALDH1A1 (0.49) POLBHPGDTSHRTLR9TLR8
SCHEMBL6015723 0.80 PARP1 (0.48)
SCHEMBL6015766 0.80 ALDH1A1 (0.43) KMT2AMEN1HPGDCHKAALOX15
SCHEMBL6015942 0.76 L3MBTL3 (0.61) KMT2AMEN1
SCHEMBL6015825 0.75 SPIN1 (0.48)
SCHEMBL6015704 0.75 PDE3B (0.51) POLBKMT2AMEN1HPGDTSHR
SCHEMBL6015752 0.74 KMT2A (0.55) POLBKMT2AHPGDHRH4

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