SCHEMBL6537557

SCHEMBL6537557

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cn1ccnc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 1/20 0.38
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 3/20 0.35
GFER P55789 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6537482 0.88 SMN1; SMN2 (0.46) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538174 0.85 HTT (0.43) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537354 0.83 MEN1 (0.44) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537711 0.80 TYK2 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537622 0.80 TYK2 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538294 0.80 MEN1 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537581 0.79 SLC16A3 (0.42) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538125 0.78 SLC16A3 (0.41) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6538234 0.78 CYP1A2 (0.41) SMN1; SMN2HTTMEN1CRHBPKMT2A
SCHEMBL6537806 0.77 JAK2 (0.40) 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