SCHEMBL6537511

SCHEMBL6537511

O=C(Nc1cccc2c(CC(=O)N3CCOCC3)ccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
P2RX7 Q99572 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.40
METAP2 P50579 1/20 0.39

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
SCHEMBL6537487 0.81 TYK2 (0.49) JAK2JAK1TYK2KMT2A
SCHEMBL8472784 0.80 TYK2 (0.47) KDM4EP2RX7JAK2JAK1TYK2
SCHEMBL6538161 0.80 TYK2 (0.52) KDM4EJAK2JAK1TYK2L3MBTL1
SCHEMBL6537642 0.78 TYK2 (0.50) KDM4EJAK2JAK1TYK2L3MBTL1
SCHEMBL6537721 0.78 SMN1; SMN2 (0.52) KDM4EL3MBTL1CNR1CNR2TSHR
SCHEMBL6537664 0.77 POLB (0.45) P2RX7JAK2JAK1TYK2TSHR
SCHEMBL6537928 0.75 TYK2 (0.47) JAK2JAK1TYK2TSHRKMT2A
SCHEMBL6538073 0.75 TYK2 (0.56) KDM4EJAK2JAK1TYK2L3MBTL1
SCHEMBL7827224 0.75 KDM4E (0.49) KDM4EP2RX7NPC1RAB9ACNR1
SCHEMBL6537365 0.74 TYK2 (0.46) JAK2JAK1TYK2L3MBTL1TSHR

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-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed