SCHEMBL6015906

SCHEMBL6015906

O=C1Nc2ccc([N+](=O)[O-])cc2S/C1=C/c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.66
SNCA P37840 3/20 0.49
NTRK1 P04629 3/20 0.46
KDR P35968 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK7 P50613 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL6015908 1.00 RET (0.66) RETSNCANTRK1KDRDAPK3
SCHEMBL6015930 0.83 NTRK1 (0.49) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015924 0.83 NTRK1 (0.49) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015712 0.83 NTRK1 (0.49) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015716 0.83 NTRK1 (0.49) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015663 0.83 MIF (0.50) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015661 0.83 MIF (0.50) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015991 0.82 KDR (0.59) RETNTRK1KDRDAPK3PRKD3
SCHEMBL6015983 0.82 KDR (0.59) RETNTRK1KDRDAPK3PRKD3
SCHEMBL5999742 0.80 RET (1.00) RETSNCANTRK1KDRDAPK3

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