SCHEMBL6015876

SCHEMBL6015876

O=C1Nc2ccccc2S/C1=C\c1cccn1CCCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 9/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDK5 Q00535 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
SCHEMBL6015883 1.00 RAB9A (0.49) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6015779 0.77 ALDH1A1 (0.47) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6015776 0.77 ALDH1A1 (0.47) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6015616 0.76 KDM4E (0.48) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6015615 0.76 KDM4E (0.48) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL6089323 0.68 MAPT (0.32) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL6089319 0.68 MAPT (0.32) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL8085252 0.68 PIM1 (0.67) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL8085249 0.68 PIM1 (0.67) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL15571574 0.68 PIM1 (0.67) RAB9ANPC1HTTALDH1A1SMN1; 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 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