SCHEMBL6015741

SCHEMBL6015741

CC(=O)OCCCCn1cc(C=C2Sc3ccccc3NC2=O)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.40
PRKCB P05771 8/20 0.40
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
RPS6KA3 P51812 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
KDR P35968 2/20 0.39
PRKCA P17252 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6015738 1.00 GSK3B (0.40) GSK3BPRKCBCDK1CDK2RPS6KA3
SCHEMBL6087986 0.77 CNR1 (0.44) GSK3BPRKCBCDK1CDK2RPS6KA3
SCHEMBL7623790 0.76 KMT2A (0.40) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL7615155 0.70 PARP1 (0.49) GSK3BPRKCBCDK1CDK2CCNB2
SCHEMBL6015844 0.68 KMT2A (0.62) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6015847 0.68 KMT2A (0.62) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6015951 0.68 PARP1 (0.45) GSK3BPRKCBCDK1CDK2CCNB2
SCHEMBL6015876 0.63 RAB9A (0.49) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6015883 0.63 RAB9A (0.49) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6090619 0.62 GSK3B (0.44) GSK3BPRKCBCDK1CDK2RPS6KA3

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 2 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
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed