SCHEMBL6015933

SCHEMBL6015933

CCN1CCN(C(=O)Cn2c[c]c3cccnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 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
SCHEMBL6015675 0.84 TDP1 (0.46) TSHRKMT2AMEN1
SCHEMBL6015703 0.83 REN (0.39) KMT2A
SCHEMBL6015787 0.78 CBX7 (0.44) TSHRGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL6015666 0.76 PTGS2 (0.38) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6015802 0.74 MEN1 (0.46) TSHRALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL6015665 0.72 OPRK1 (0.48) NPSR1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL6015693 0.71 ALDH1A1 (0.41) GAAALDH1A1
SCHEMBL6015925 0.70 TSHR (0.54) TSHRALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL6015734 0.68 KMT2A (0.50) TSHRGAAALDH1A1KMT2AHSD17B10
SCHEMBL13118001 0.67 KDM4E (0.64) HSD11B1TSHRNPSR1ALDH1A1SMN1; SMN2

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