SCHEMBL6537722

SCHEMBL6537722

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TYK2 P29597 5/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHB3 P54753 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL6537884 0.85 KDM4E (0.45) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL6538297 0.85 MEN1 (0.41) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL8474859 0.83 CYP3A4 (0.52) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL6537906 0.82 MEN1 (0.39) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL6538351 0.82 KMT2A (0.41) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL6537421 0.81 TYK2 (0.46) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL6537674 0.80 TYK2 (0.46) KMT2AMEN1HTTSMN1; SMN2TYK2
SCHEMBL6537888 0.79 TYK2 (0.41) KMT2AMEN1HTTSMN1; SMN2CRHBP
SCHEMBL8489326 0.78 HAVCR2 (0.46) KMT2AMEN1HTTSMN1; SMN2TYK2
SCHEMBL6537379 0.78 TYK2 (0.40) HTTSMN1; SMN2TYK2JAK2JAK1

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