SCHEMBL6015897

SCHEMBL6015897

c1cc2ccc3c(c2[nH]1)CCCN3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.53
GRIA2 P42262 1/20 0.53
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53
NOTUM Q6P988 1/20 0.34
TNF P01375 1/20 0.34
RIPK1 Q13546 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
AHR P35869 1/20 0.32
BCHE P06276 1/20 0.32
PARP1 P09874 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
UHRF1 Q96T88 1/20 0.32
NUDT1 P36639 1/20 0.31
TNK2 Q07912 1/20 0.31

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
SCHEMBL4929162 0.76 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL3237599 0.72 TNF (0.37) TNFRIPK1BRD4AHRCA1
SCHEMBL4821008 0.72 KIF11 (0.42) GRIA1GRIA2GRIA3GRIA4TNF
SCHEMBL30955211 0.72 KIF11 (0.39) GRIA1GRIA2GRIA3GRIA4TNF
SCHEMBL4823203 0.72 KIF11 (0.39) GRIA1GRIA2GRIA3GRIA4TNF
SCHEMBL7103933 0.70 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL1441340 0.69 BCHE (0.44) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL4528223 0.69 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4NOTUM
SCHEMBL6781370 0.69 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4824761 0.67 HTR2C (0.40) TNFRIPK1BRD4AHRPARP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed