SCHEMBL6015653

SCHEMBL6015653

O=C1Nc2ccccc2S/C1=C\c1c[nH]c2ccc(OCCN3CCCCC3)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.73
INPPL1 O15357 1/20 0.53
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
NTRK1 P04629 2/20 0.44
PRKD3 O94806 1/20 0.44
ABL1 P00519 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
LTK P29376 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
CDK7 P50613 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MST1R Q04912 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 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
SCHEMBL6015657 1.00 KDR (0.73) KDRINPPL1HPGDMAPK1HRH3
SCHEMBL7677330 0.79 KDR (0.64) KDRINPPL1PAK1KMT2AMITF
SCHEMBL6016045 0.75 KDR (0.51) KDRMAPK1NTRK1PRKD3ABL1
SCHEMBL6016042 0.75 KDR (0.51) KDRMAPK1NTRK1PRKD3ABL1
SCHEMBL6015991 0.75 KDR (0.59) KDRHPGDNTRK1PRKD3ABL1
SCHEMBL6015983 0.75 KDR (0.59) KDRHPGDNTRK1PRKD3ABL1
SCHEMBL6015809 0.74 KMT2A (0.64) KDRKMT2AMITFGSK3AGSK3B
SCHEMBL6015821 0.74 KMT2A (0.64) KDRKMT2AMITFGSK3AGSK3B
SCHEMBL1249365 0.70 PTPN1 (0.69) HPGDACHEMAOAMAOBKMT2A
SCHEMBL12891965 0.70 PTPN1 (0.69) HPGDACHEMAOAMAOBKMT2A

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