SCHEMBL7945647

SCHEMBL7945647

COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2ccccc2[nH]1)CC3CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 1/20 0.45
KIT P10721 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ABL2 P42684 1/20 0.45
AKR1C3 P42330 8/20 0.39
HRH4 Q9H3N8 3/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FTO Q9C0B1 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL6620418 0.92 NPC1 (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL14669320 0.92 NPC1 (0.41) ADH1AKITFLT1FLT4KDR
SCHEMBL7959056 0.90 KMT2A (0.45) ADH1AKITFLT1FLT4KDR
SCHEMBL7945652 0.89 KDM4E (0.43) ADH1AKITFLT1FLT4KDR
SCHEMBL7952123 0.88 HRH4 (0.44) ADH1AKITFLT1FLT4KDR
SCHEMBL19884901 0.87 AKR1C3 (0.46) ADH1AKITFLT1FLT4KDR
SCHEMBL6517282 0.84 ADH1A (0.61) ADH1AKITFLT1FLT4KDR
SCHEMBL6517278 0.84 ADH1A (0.61) ADH1AKITFLT1FLT4KDR
SCHEMBL30852737 0.83 P4HB (0.51) ADH1AKITFLT1FLT4KDR
SCHEMBL19057483 0.83 P4HB (0.51) ADH1AKITFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed