SCHEMBL6015887

SCHEMBL6015887

[c]1cccc2c(CN3CCCC3)c[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.59
JAK2 O60674 1/20 0.57
RAB9A P51151 1/20 0.57
BCHE P06276 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR6 P50406 1/20 0.46
CHRNA7 P36544 1/20 0.44
DRD2 P14416 5/20 0.43
DRD4 P21917 5/20 0.43
DRD3 P35462 5/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6015775 0.98 LMNA (0.61) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6015714 0.88 HTR6 (0.58) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6015685 0.87 HTR6 (0.63) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6015640 0.87 BCHE (0.51) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6015944 0.87 BCHE (0.48) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6015736 0.86 ALDH1A1 (0.54) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6016017 0.85 DRD2 (0.49) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6016030 0.84 BCHE (0.49) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL10463380 0.76 LMNA (0.97) LMNAHTTKDM4EMAPK1JAK2
SCHEMBL6015923 0.75 KMT2A (0.62) LMNAHTTCYP2D6SMN1; SMN2ALDH1A1

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