SCHEMBL6015787

SCHEMBL6015787

O=C(Cn1c[c]c2cccnc21)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 2/20 0.44
CDYL2 Q8N8U2 2/20 0.44
CDYL Q9Y232 2/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44
ACHE P22303 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL3 Q96JM7 8/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
MBTD1 Q05BQ5 5/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
TP53BP1 Q12888 3/20 0.41
DPP8 Q6V1X1 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6016055 0.82 CBX7 (0.55) CBX7CDYL2CDYLCDY1; CDY1BACHE
SCHEMBL6015703 0.80 REN (0.39) POLBKMT2A
SCHEMBL6015675 0.78 TDP1 (0.46) L3MBTL1POLBTSHRTDP1MEN1
SCHEMBL6015933 0.78 HSD11B1 (0.43) NPSR1GAATSHRKDM4EALDH1A1
SCHEMBL6015646 0.68 KDM4E (0.47) CBX7CDYL2CDYLCDY1; CDY1BACHE
SCHEMBL3774050 0.66 KDM4E (0.73) CBX7CDYL2CDYLCDY1; CDY1BACHE
SCHEMBL6015693 0.66 ALDH1A1 (0.41) ACHECYP2C19GAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL3844455 0.65 KDM4E (0.44) CBX7CDYL2CDYLCDY1; CDY1BACHE
SCHEMBL2831484 0.64 C3AR1 (0.61) L3MBTL3MAPTTDP1
Hydrochloric Acid SCHEMBL3847607 0.64 L3MBTL3 (0.44) CBX7CDYL2CDYLCDY1; CDY1BNPSR1

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