SCHEMBL7744658

SCHEMBL7744658

CCCCC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
RORC P51449 3/20 0.38
MLYCD O95822 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36
TLR2 O60603 3/20 0.36
TLR1 Q15399 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA1 P30542 1/20 0.36
RORA P35398 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL7744083 0.91 KDR (0.47) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744098 0.90 FLT1 (0.40) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744656 0.89 MEN1 (0.43) FLT1FLT4KDRRORCMEN1
SCHEMBL7744052 0.88 KDR (0.52) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7739025 0.85 FLT1 (0.42) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7739077 0.85 KDR (0.42) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7746647 0.85 KDR (0.41) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744763 0.85 KDM4E (0.46) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744776 0.85 MAPT (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7744673 0.85 LMNA (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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