SCHEMBL2764448

SCHEMBL2764448

COc1cc(-c2cc(CO)nn2Cc2cccnc2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
HSD17B10 Q99714 2/20 0.47
SLC16A3 O15427 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
PTK2 Q05397 1/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
FYN P06241 1/20 0.43
MARS1 P56192 1/20 0.43
ALOX15 P16050 1/20 0.42
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
TYRO3 Q06418 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
SCHEMBL2764588 0.89 P2RX7 (0.47) P2RX7HSD17B10SLC16A3ALDH1A1GAA
SCHEMBL2765797 0.87 SLC16A3 (0.46) HSD17B10SLC16A3ALDH1A1KMT2AHTT
SCHEMBL2767259 0.87 KDM4E (0.48) P2RX7HSD17B10SLC16A3ALDH1A1KMT2A
SCHEMBL2765957 0.84 CHRNB2 (0.47) P2RX7SLC16A3ALDH1A1KMT2APTK2
SCHEMBL2766041 0.80 TDP1 (0.48) P2RX7HSD17B10SLC16A3ALDH1A1KMT2A
SCHEMBL2766939 0.76 FYN (0.38) HSD17B10ALDH1A1HTTKDM4EHPGD
SCHEMBL2764392 0.76 PDE4A (0.47) HSD17B10SLC16A3ALDH1A1KMT2AHTT
SCHEMBL2764186 0.73 FYN (0.40) HSD17B10ALDH1A1GAAHTTKDM4E
SCHEMBL2763745 0.73 BCHE (0.49) KMT2APOLBMEN1PDE4B
SCHEMBL2766860 0.70 SLC29A1 (0.50) ALDH1A1GAAKMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed