SCHEMBL6015822

SCHEMBL6015822

CN1CCCN(Cc2ccc3[c]c[nH]c3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 13/20 0.55
CA2 P00918 1/20 0.55
NCF1 P14598 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL6015818 0.95 LMNA (0.46) CHKACA2NCF1PRMT6KDM4E
SCHEMBL6015766 0.77 ALDH1A1 (0.43) CHKAKDM4EALDH1A1PARP1
SCHEMBL6015967 0.75 L3MBTL3 (0.50) ALDH1A1PARP1
SCHEMBL110133 0.71 CHKA (1.00) CHKACA2NCF1PRMT6KDM4E
SCHEMBL16121577 0.71 CHKA (1.00) CHKACA2NCF1PRMT6KDM4E
SCHEMBL19339191 0.71 CHKA (0.64) CHKACA2NCF1PRMT6KDM4E
SCHEMBL13246320 0.70 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12203051 0.70 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL18546870 0.70 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL2056181 0.70 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E

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