SCHEMBL6537482

SCHEMBL6537482

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cn1ccnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
GPR142 Q7Z601 2/20 0.41
JAK2 O60674 5/20 0.38
TYK2 P29597 5/20 0.38
JAK1 P23458 4/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL6538174 0.89 HTT (0.43) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537557 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537354 0.83 MEN1 (0.44) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538367 0.83 CYP3A4 (0.40) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537711 0.82 TYK2 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537622 0.82 TYK2 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538294 0.82 MEN1 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537581 0.81 SLC16A3 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538125 0.80 SLC16A3 (0.41) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL8472529 0.80 MEN1 (0.38) SMN1; SMN2HTTMEN1CRHBPKMT2A

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