SCHEMBL6016074

SCHEMBL6016074

O=C1Nc2ccccc2SC1=Cc1c[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.55
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 1/20 0.42
NTRK1 P04629 2/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL6016071 1.00 KDR (0.55) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6015991 0.83 KDR (0.59) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6015983 0.83 KDR (0.59) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6015809 0.80 KMT2A (0.64) KDRRAB9ANPC1ALDH1A1GAA
SCHEMBL6015821 0.80 KMT2A (0.64) KDRRAB9ANPC1ALDH1A1GAA
SCHEMBL7677330 0.80 KDR (0.64) KDRRAB9ANPC1ALDH1A1GAA
SCHEMBL6016045 0.79 KDR (0.51) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6016042 0.79 KDR (0.51) KDRRAB9ANPC1HTTALDH1A1
SCHEMBL6015835 0.77 MEN1 (0.51) KDRRAB9ANPC1GAAMAPT
SCHEMBL6015837 0.77 MEN1 (0.51) KDRRAB9ANPC1GAAMAPT

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