SCHEMBL6537345

SCHEMBL6537345

Cc1c(Cl)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.47
JAK2 O60674 4/20 0.47
JAK1 P23458 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDR P35968 1/20 0.42
POLB P06746 1/20 0.42
PTGES O14684 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41

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
SCHEMBL6537933 0.89 TYK2 (0.44) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6537674 0.86 TYK2 (0.46) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6537599 0.86 TAS1R3 (0.44) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL8489326 0.84 HAVCR2 (0.46) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6537629 0.83 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL6537770 0.82 TYK2 (0.43) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6537904 0.82 RAB9A (0.48) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6538084 0.82 TYK2 (0.53) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL8486665 0.81 TYK2 (0.41) TYK2JAK2JAK1MAPTRAB9A
SCHEMBL6538276 0.81 JAK2 (0.44) TYK2JAK2JAK1CYP3A4HTT

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