SCHEMBL6016045

SCHEMBL6016045

O=C1Nc2ccccc2SC1=Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
NTRK1 P04629 5/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 1/20 0.47
PRKD3 O94806 2/20 0.44
ABL1 P00519 2/20 0.44
RET P07949 2/20 0.44
PDGFRB P09619 2/20 0.44
LTK P29376 2/20 0.44
FLT3 P36888 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CDK7 P50613 2/20 0.44
MAP2K1 Q02750 2/20 0.44
MST1R Q04912 2/20 0.44
NTRK3 Q16288 2/20 0.44
NTRK2 Q16620 2/20 0.44
AURKB Q96GD4 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ALK Q9UM73 2/20 0.44

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
SCHEMBL6016042 1.00 KDR (0.51) KDRNTRK1RAB9ANPC1HTT
SCHEMBL6015661 0.86 MIF (0.50) KDRNTRK1RAB9ANPC1PRKD3
SCHEMBL6015663 0.86 MIF (0.50) KDRNTRK1RAB9ANPC1PRKD3
SCHEMBL6015983 0.86 KDR (0.59) KDRNTRK1RAB9ANPC1HTT
SCHEMBL6015991 0.86 KDR (0.59) KDRNTRK1RAB9ANPC1HTT
SCHEMBL6016071 0.79 KDR (0.55) KDRNTRK1RAB9ANPC1HTT
SCHEMBL6016074 0.79 KDR (0.55) KDRNTRK1RAB9ANPC1HTT
SCHEMBL5201381 0.78 NTRK1 (0.73) KDRNTRK1NPC1PRKD3ABL1
SCHEMBL6015653 0.75 KDR (0.73) KDRNTRK1RAB9APRKD3ABL1
SCHEMBL6015657 0.75 KDR (0.73) KDRNTRK1RAB9APRKD3ABL1

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 3 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 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