SCHEMBL8472944

SCHEMBL8472944

CCOC(=O)c1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(=C=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
P2RY12 Q9H244 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 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
SCHEMBL6537626 0.85 ALDH1A1 (0.45) MAPK1ALDH1A1USP2LMNAHTT
SCHEMBL6537773 0.84 LMNA (0.64) MAPK1ALDH1A1USP2LMNAHTT
SCHEMBL6537629 0.80 MAPT (0.50) ALDH1A1HTTSMN1; SMN2TP53POLB
SCHEMBL6538111 0.80 KMT2A (0.58) ALDH1A1HTTSMN1; SMN2TP53POLB
SCHEMBL8472949 0.79 USP2 (0.44) MAPK1ALDH1A1USP2LMNAHTT
SCHEMBL6537564 0.79 MEN1 (0.48) USP2HTTSMN1; SMN2TP53POLB
SCHEMBL6538187 0.78 MAPT (0.46) HTTSMN1; SMN2TP53POLBMEN1
SCHEMBL6537925 0.77 MAPT (0.45) ALDH1A1USP2HTTSMN1; SMN2TP53
SCHEMBL6538372 0.77 MAPK1 (0.66) MAPK1ALDH1A1USP2LMNAHTT
SCHEMBL6538068 0.77 MAPT (0.45) LMNAHTTSMN1; SMN2TP53POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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