SCHEMBL6537680

SCHEMBL6537680

CNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)c(C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TYK2 P29597 11/20 0.44
JAK2 O60674 8/20 0.44
JAK1 P23458 6/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK14 Q16539 2/20 0.41
CYP3A4 P08684 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL6537677 0.85 SMN1; SMN2 (0.52) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL6537453 0.85 TYK2 (0.47) SMN1; SMN2KDM4EALDH1A1TYK2JAK2
SCHEMBL6537840 0.83 TYK2 (0.44) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL6538150 0.83 KMT2A (0.50) TYK2JAK2JAK1KMT2ARAB9A
SCHEMBL6538250 0.82 TYK2 (0.47) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL6537617 0.82 TYK2 (0.45) ALDH1A1TYK2JAK2JAK1KMT2A
SCHEMBL6538137 0.81 TYK2 (0.47) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL6537364 0.80 TYK2 (0.46) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL6538091 0.80 TYK2 (0.43) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL8474994 0.79 TYK2 (0.46) SMN1; SMN2KDM4EALDH1A1TYK2JAK2

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