SCHEMBL5501488

SCHEMBL5501488

COc1cc(C(=O)OC(=O)C(F)(F)F)c([N+](=O)[O-])cc1OCCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 5/20 0.45
CHEK1 O14757 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNJ1 P48048 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL28341714 0.88 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3284414 0.88 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL5501485 0.87 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3527664 0.85 ALDH1A1 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3709691 0.85 ALDH1A1 (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7526518 0.85 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5567501 0.85 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL361837 0.85 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5499989 0.84 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6532154 0.84 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed