SCHEMBL6537515

SCHEMBL6537515

CCOC(=O)Cc1c(C#N)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
NLRP3 Q96P20 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GHSR Q92847 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
STK4 Q13043 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6537864 0.88 POLB (0.45) LMNAMAPTPOLBNLRP3MEN1
SCHEMBL6537538 0.88 TAS1R3 (0.42) POLBMEN1KMT2AGHSRHTT
SCHEMBL6538341 0.87 MEN1 (0.40) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL6538382 0.87 MAPT (0.45) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL6537389 0.85 POLB (0.43) LMNAMAPTPOLBNLRP3MEN1
SCHEMBL6537980 0.85 TAS1R3 (0.43) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL6538068 0.85 MAPT (0.45) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL6537615 0.84 GAA (0.43) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL6537790 0.84 TAS1R3 (0.42) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL6538033 0.84 MAPT (0.39) LMNAMAPTPOLBNLRP3MEN1

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