SCHEMBL6015833

SCHEMBL6015833

CN1CCN(C(=O)c2ccc3[c]c[nH]c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 5/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 4/20 0.49
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
BTK Q06187 1/20 0.43
JAK2 O60674 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
SCHEMBL6015947 0.95 POLB (0.53) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL6015819 0.86 ALDH1A1 (0.48) KMT2AMEN1HPGDPOLBCYP2C19
SCHEMBL6015913 0.85 SIGMAR1 (0.49) HPGDHRH4
SCHEMBL6015694 0.85 ALDH1A1 (0.49) HPGDTSHRPOLBCYP2D6CYP2C19
SCHEMBL6015723 0.84 PARP1 (0.48) ALDH1A1
SCHEMBL6015942 0.78 L3MBTL3 (0.61) KMT2AMEN1ALDH1A1
SCHEMBL6015766 0.77 ALDH1A1 (0.43) KMT2AMEN1HPGDALOX15CYP2C19
SCHEMBL6015825 0.77 SPIN1 (0.48)
SCHEMBL16002856 0.76 GHSR (0.69) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL6015856 0.75 RAD52 (0.54) KMT2AMEN1HPGDCYP2D6ALDH1A1

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 6 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
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN 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
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN disclosed