SCHEMBL6537664

SCHEMBL6537664

CCOC(=O)Cc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TYK2 P29597 7/20 0.45
JAK2 O60674 5/20 0.45
JAK1 P23458 5/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDR P35968 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL6537487 0.85 TYK2 (0.49) MAPTTYK2JAK2JAK1KMT2A
SCHEMBL6537386 0.85 MAPT (0.51) POLBMAPTLMNATYK2JAK2
SCHEMBL6538161 0.84 TYK2 (0.52) MAPTLMNATYK2JAK2JAK1
SCHEMBL6537864 0.83 POLB (0.45) POLBMAPTLMNATYK2JAK2
SCHEMBL6537749 0.83 POLB (0.45) POLBMAPTLMNATYK2JAK2
SCHEMBL6537365 0.83 TYK2 (0.46) POLBMAPTLMNATYK2JAK2
SCHEMBL6537799 0.82 TYK2 (0.44) POLBMAPTLMNATYK2JAK2
SCHEMBL6537642 0.82 TYK2 (0.50) MAPTTYK2JAK2JAK1KMT2A
SCHEMBL6537800 0.81 TYK2 (0.46) POLBMAPTLMNATYK2JAK2
SCHEMBL6538084 0.81 TYK2 (0.53) MAPTLMNATYK2JAK2JAK1

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