SCHEMBL6015666

SCHEMBL6015666

O=C(O)Cn1c[c]c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
PABPC1 P11940 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 1/20 0.33
SHMT2 P34897 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL6015802 0.80 MEN1 (0.46) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6016000 0.78 CYP1A2 (0.33) LMNAALDH1A1KDM4ECYP1A2MTNR1A
SCHEMBL6015703 0.77 REN (0.39) KMT2APOLB
SCHEMBL2547432 0.76 HTR1A (0.34) LMNAALDH1A1KDM4ECYP1A2
SCHEMBL6015933 0.76 HSD11B1 (0.43) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6015693 0.75 ALDH1A1 (0.41) MAPTALDH1A1TP53HDAC6
SCHEMBL6015675 0.74 TDP1 (0.46) PTGS2KMT2AMEN1POLB
SCHEMBL6015950 0.73 KMT2A (0.50) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6015969 0.72 CNR2 (0.43) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL6015686 0.72 USP2 (0.35) RECQL

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
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
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed