SCHEMBL7550504

SCHEMBL7550504

COc1ccc2c(c1)c(-c1cncc(-c3ccccc3)c1)cn2CCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.59
FLT1 P17948 3/20 0.52
FLT4 P35916 3/20 0.52
HTR6 P50406 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RCE1 Q9Y256 1/20 0.46
HSD17B10 Q99714 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
FLT3 P36888 1/20 0.44
PTPN1 P18031 3/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CNR2 P34972 1/20 0.41
ACP1 P24666 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL7548026 0.94 KDR (0.60) KDRFLT1FLT4HTR6PTPN1
SCHEMBL7549155 0.94 KDR (0.56) KDRFLT1FLT4HTR6KDM4E
SCHEMBL7547482 0.93 KDR (0.55) KDRFLT1FLT4HTR6KDM4E
SCHEMBL7991015 0.91 KDR (0.59) KDRFLT1FLT4HTR6KDM4E
SCHEMBL7554276 0.90 KDR (0.52) KDRFLT1FLT4HTR6KDM4E
SCHEMBL7548695 0.90 KDR (0.52) KDRFLT1FLT4HTR6KDM4E
SCHEMBL7555221 0.89 KDR (0.68) KDRFLT1FLT4FLT3ACP1
SCHEMBL7551493 0.88 KDR (0.57) KDRFLT1FLT4ACP1
SCHEMBL7558444 0.88 KDR (0.57) KDRFLT1FLT4KDM4EALDH1A1
SCHEMBL7554226 0.87 KDR (0.66) KDRFLT1FLT4FLT3ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed