SCHEMBL6596100

SCHEMBL6596100

COc1cc(CC(=O)Nc2cccc(OCCCC(=O)O)c2)cc2oc(Nc3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
KDR P35968 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDGFRB P09619 1/20 0.42
FLT4 P35916 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6598330 0.84 P2RY14 (0.49) USP2MEN1KMT2ASMN1; SMN2HTT
SCHEMBL6594493 0.84 HDAC6 (0.52) KDRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6601852 0.81 KDR (0.42) KDRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6594949 0.80 HDAC6 (0.50) USP2KDRMEN1KMT2AP2RY14
SCHEMBL6595168 0.80 P2RY14 (0.49) USP2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL6594730 0.78 MAPT (0.41) USP2KDRMEN1KMT2ASMN1; SMN2
SCHEMBL3866405 0.78 RAB9A (0.45) SMN1; SMN2HTTALDH1A1MAPTCYP1A2
SCHEMBL7657273 0.76 EPHX2 (0.49) USP2MEN1KMT2AALDH1A1TSHR
SCHEMBL6597368 0.76 NPC1 (0.47) USP2SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL14591734 0.76 KDR (0.39) KDRMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144393-B1 BENZOXAZOLE DERIVATIVES FOR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
EP-1144393-A3 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6441012-B1 BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1144393-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2001-10-17 EP disclosed
WO-2000005224-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR ASTRAZENECA AB (SE) 2000-02-03 WO disclosed