SCHEMBL6537894

SCHEMBL6537894

CCOc1c(C(=O)O)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
ABL1 P00519 1/20 0.50
LMNA P02545 1/20 0.50
RIN1 Q13671 1/20 0.50
SLC16A3 O15427 1/20 0.45
NPC1 O15118 3/20 0.44
MITF O75030 1/20 0.44
HAVCR2 Q8TDQ0 1/20 0.44
POLB P06746 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6537854 0.91 GAA (0.43) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL6537564 0.91 MEN1 (0.48) KMT2ASMN1; SMN2MEN1MAPTGAA
SCHEMBL6536777 0.87 GAA (0.43) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL6538374 0.86 ALDH1A1 (0.43) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6537675 0.85 ALDH1A1 (0.42) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL6537615 0.83 GAA (0.43) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL8476104 0.83 HAVCR2 (0.50) KMT2AMEN1MAPTSLC16A3HAVCR2
SCHEMBL6537735 0.81 SLC16A3 (0.47) KMT2ASMN1; SMN2MEN1MAPTSLC16A3
SCHEMBL6537629 0.81 MAPT (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL6538111 0.81 KMT2A (0.58) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT

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