SCHEMBL18953554

SCHEMBL18953554

COc1ccccc1NC1=NSc2cc(Cl)cc(OC)c2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.51
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.45
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18953366 0.91 CXCR2 (0.49) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953334 0.91 CXCR2 (0.44) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953652 0.91 CXCR2 (0.42) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953352 0.90 CXCR2 (0.50) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953566 0.90 CXCR2 (0.61) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953455 0.90 CXCR2 (0.43) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953374 0.90 CXCR2 (0.43) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953491 0.87 CXCR2 (0.46) CXCR2NPC1HTTALDH1A1MAPT
SCHEMBL18953559 0.87 CXCR2 (0.40) CXCR2NPC1MAPTPOLBLMNA
SCHEMBL18953404 0.85 CXCR2 (0.45) CXCR2NPC1HTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO claimed
WO-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed