SCHEMBL7746642

SCHEMBL7746642

CC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
ALOX15 P16050 1/20 0.45
ABL1 P00519 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
SMO Q99835 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL7744664 0.94 KDR (0.55) KDRFLT1FLT4ALOX15ABL1
SCHEMBL7744668 0.89 KDR (0.69) KDRFLT1FLT4ALOX15ABL1
SCHEMBL7739080 0.88 KDR (0.62) KDRFLT1FLT4ALOX15ABL1
SCHEMBL7739089 0.88 KDR (0.60) KDRFLT1FLT4ALOX15ABL1
SCHEMBL7739071 0.88 KDR (0.43) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7744044 0.85 HPGD (0.44) KDRFLT1FLT4MAPTSMN1; SMN2
SCHEMBL7744200 0.83 KDR (0.53) KDRFLT1FLT4ALOX15ABL1
SCHEMBL7739016 0.83 KDR (0.56) KDRFLT1FLT4ALOX15ABL1
SCHEMBL7746639 0.83 KDR (0.61) KDRFLT1FLT4ALOX15MAPT
SCHEMBL7744772 0.82 KDR (0.61) KDRFLT1FLT4ALOX15ABL1

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-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP claimed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP claimed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO claimed
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP disclosed
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed