SCHEMBL6015967

SCHEMBL6015967

[c]1c[nH]c2cc(CN3CCC(N4CCCCC4)CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.50
MBTD1 Q05BQ5 3/20 0.50
L3MBTL1 Q9Y468 7/20 0.47
TP53BP1 Q12888 1/20 0.46
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
CCR3 P51677 2/20 0.40
HRH3 Q9Y5N1 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 1/20 0.38
PARP1 P09874 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
SCHEMBL6015798 0.78 ALDH1A1 (0.56) L3MBTL3MBTD1L3MBTL1TP53BP1ALDH1A1
SCHEMBL6015818 0.77 LMNA (0.46) ALDH1A1PARP1
SCHEMBL6015822 0.75 CHKA (0.55) ALDH1A1PARP1
SCHEMBL6015942 0.74 L3MBTL3 (0.61) L3MBTL3MBTD1L3MBTL1TP53BP1ALDH1A1
SCHEMBL16054572 0.72 L3MBTL3 (0.58) L3MBTL3MBTD1L3MBTL1TP53BP1TSHR
SCHEMBL6554484 0.71 PARP1 (0.66) L3MBTL3MBTD1L3MBTL1TP53BP1PARP1
SCHEMBL22940166 0.70 L3MBTL1 (0.63) L3MBTL3MBTD1L3MBTL1TP53BP1TSHR
SCHEMBL20640316 0.70 ALDH1A1 (0.69) L3MBTL3MBTD1L3MBTL1TP53BP1TSHR
SCHEMBL13222431 0.70 L3MBTL3 (0.63) L3MBTL3MBTD1L3MBTL1TP53BP1TSHR
Hydrochloric Acid SCHEMBL6404360 0.70 PARP1 (0.65) L3MBTL3MBTD1L3MBTL1TP53BP1PARP1

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