SCHEMBL6015703

SCHEMBL6015703

O=C(Cn1c[c]c2cccnc21)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CXCR3 P49682 5/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
RIPK1 Q13546 1/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6015675 0.81 TDP1 (0.46) CXCR3KMT2APOLB
SCHEMBL6015787 0.80 CBX7 (0.44) KMT2APOLB
SCHEMBL6015632 0.80 SIGMAR1 (0.41) TPSAB1TPSD1TPSG1KMT2APOLB
SCHEMBL6015666 0.77 PTGS2 (0.38) KMT2APOLB
SCHEMBL6015693 0.71 ALDH1A1 (0.41)
SCHEMBL6016000 0.68 CYP1A2 (0.33)
SCHEMBL6015665 0.67 OPRK1 (0.48) KMT2A
SCHEMBL18114721 0.67 TPSAB1 (0.45) TPSAB1TPSD1TPSG1KMT2APOLB
SCHEMBL17782866 0.66 DTYMK (0.66)
SCHEMBL10577614 0.65

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